REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2fh8_1_A DATA FIRST_RESID 32 DATA SEQUENCE DVVVRLPDXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXAA FGVALADAHW DATA SEQUENCE VDKTTLLWPG GENKPIVRLY YSHSSKVAAD SNGEFSDKYV KLTPTTVNQQ DATA SEQUENCE VSMRFPHLAS YPAFKLPDDV NVDELLQGET VAIAAESDGI LSSATQVQTA DATA SEQUENCE GVLDDTYAAA AEALSYGAQL TDSGVTFRVW APTAQQVELV IYSADKKVIA DATA SEQUENCE SHPMTRDSAS GAWSWQGGSD LKGAFYRYAM TVYHPQSRKV EQYEVTDPYA DATA SEQUENCE HSLSTNSEYS QVVDLNDSAL KPEGWDGLTM PHAQKTKADL AKMTIHESHI DATA SEQUENCE RDLSAWDQTV PAELRGKYLA LTAQESNMVQ HLKQLSASGV THIELLPVFD DATA SEQUENCE LATVNEFSDK VADIQQPFSR LcEVNSAVKS SEFAGYcDSG STVEEVLTQL DATA SEQUENCE KQNDSKDNPQ VQALNTLVAQ TDSYNWGYDP FHYTVPEGSY ATDPEGTARI DATA SEQUENCE KEFRTMIQAI KQDLGMNVIM DVVYNHTNAA GPTDRTSVLD KIVPWYYQRL DATA SEQUENCE NETTGSVESA TCCSDSAPEH RMFAKLIADS LAVWTTDYKI DGFRFDLMLY DATA SEQUENCE HPKAQILSAW ERIKALNPDI YFFGEGWDSN QSDRFEIASQ INLKGTGIGT DATA SEQUENCE FSDRLRDAVR GGGPFDSGDA LRQNQGVGSG AGVLPNELTT LSDDQARHLA DATA SEQUENCE DLTRLGMAGN LADFVLIDKD GAVKRGSEID YNGAPGGYAA DPTEVVNYVS DATA SEQUENCE KHDNQTLWDM ISYKAAQEAD LDTRVRMQAV SLATVMLGQG IAFDQQGSEL DATA SEQUENCE LRSKSFTRDS YDSGDWFNRV DYSLQDNNYN VGMPRSSDDG SNYDIIARVK DATA SEQUENCE DAVATPGETE LKQMTAFYQE LTALRKSSPL FTLGDGATVM KRVDFRNTGA DATA SEQUENCE DQQTGLLVMT IDDGMQAGAS LDSRVDGIVV AINAAPESRT LQDFAGTSLQ DATA SEQUENCE LSAIQQAAGD RSLASGVQVA ADGSVTLPAW SVAVLELPQG ESQGAGLPVS DATA SEQUENCE SK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 32 D HA 0.000 nan 4.640 nan 0.000 0.175 32 D C 0.000 176.344 176.300 0.074 0.000 2.045 32 D CA 0.000 54.052 54.000 0.086 0.000 0.868 32 D CB 0.000 40.895 40.800 0.158 0.000 0.688 33 V N 0.859 120.801 119.914 0.047 0.000 2.999 33 V HA 0.066 4.185 4.120 -0.000 0.000 0.307 33 V C 0.787 176.903 176.094 0.036 0.000 1.084 33 V CA -0.348 61.973 62.300 0.035 0.000 1.155 33 V CB 1.068 32.902 31.823 0.019 0.000 0.975 33 V HN 0.355 nan 8.190 nan 0.000 0.490 34 V N 4.743 124.683 119.914 0.043 0.000 2.385 34 V HA 0.172 4.292 4.120 -0.000 0.000 0.269 34 V C 0.208 176.331 176.094 0.049 0.000 1.043 34 V CA -0.412 61.923 62.300 0.059 0.000 0.906 34 V CB 1.332 33.197 31.823 0.071 0.000 0.995 34 V HN 0.627 nan 8.190 nan 0.000 0.467 35 V N 7.728 127.664 119.914 0.038 0.000 2.585 35 V HA 0.329 4.449 4.120 -0.000 0.000 0.296 35 V C 0.565 176.741 176.094 0.135 0.000 1.035 35 V CA 0.072 62.374 62.300 0.004 0.000 1.084 35 V CB 0.225 31.949 31.823 -0.165 0.000 0.953 35 V HN 1.063 nan 8.190 nan 0.000 0.483 36 R N 4.283 124.858 120.500 0.124 0.000 2.831 36 R HA 0.731 5.070 4.340 -0.000 0.000 0.266 36 R C -1.390 175.010 176.300 0.166 0.000 1.051 36 R CA -1.138 55.075 56.100 0.188 0.000 0.943 36 R CB 1.326 31.675 30.300 0.082 0.000 1.228 36 R HN 0.413 nan 8.270 nan 0.000 0.467 37 L N 0.639 121.943 121.223 0.135 0.000 2.456 37 L HA 0.379 4.719 4.340 -0.000 0.000 0.257 37 L C -1.918 174.892 176.870 -0.099 0.000 1.162 37 L CA -2.265 52.593 54.840 0.031 0.000 0.808 37 L CB 0.578 42.633 42.059 -0.008 0.000 1.136 37 L HN 0.407 nan 8.230 nan 0.000 0.466 38 P HA -0.066 nan 4.420 nan 0.000 0.256 38 P C -1.244 175.961 177.300 -0.158 0.000 1.173 38 P CA 0.110 63.056 63.100 -0.256 0.000 0.768 38 P CB 0.090 31.501 31.700 -0.481 0.000 0.758 171 A N -1.032 121.921 122.820 0.223 0.000 2.264 171 A HA 0.398 4.718 4.320 -0.000 0.000 0.207 171 A C 0.824 178.411 177.584 0.005 0.000 1.196 171 A CA 1.255 53.366 52.037 0.124 0.000 0.778 171 A CB -0.895 18.175 19.000 0.116 0.000 0.779 171 A HN 0.623 nan 8.150 nan 0.000 0.483 172 F N -1.394 118.587 119.950 0.053 0.000 2.724 172 F HA 0.331 4.858 4.527 -0.000 0.000 0.310 172 F C 1.362 177.226 175.800 0.107 0.000 1.107 172 F CA -0.414 57.625 58.000 0.065 0.000 1.218 172 F CB 0.191 39.231 39.000 0.067 0.000 1.042 172 F HN 0.173 nan 8.300 nan 0.000 0.540 173 G N 0.102 109.035 108.800 0.222 0.000 2.535 173 G HA2 0.456 4.416 3.960 -0.000 0.000 0.303 173 G HA3 0.456 4.416 3.960 -0.000 0.000 0.303 173 G C -0.498 174.479 174.900 0.128 0.000 1.237 173 G CA -0.575 44.649 45.100 0.206 0.000 0.986 173 G HN -0.151 nan 8.290 nan 0.000 0.494 174 V N 0.325 120.313 119.914 0.123 0.000 2.617 174 V HA 0.386 4.506 4.120 -0.000 0.000 0.304 174 V C 0.806 176.940 176.094 0.066 0.000 1.040 174 V CA 0.763 63.105 62.300 0.070 0.000 1.149 174 V CB 0.102 31.967 31.823 0.069 0.000 0.914 174 V HN 1.054 nan 8.190 nan 0.000 0.487 175 A N 5.229 128.083 122.820 0.057 0.000 2.486 175 A HA 0.837 5.157 4.320 -0.000 0.000 0.300 175 A C -0.584 177.048 177.584 0.081 0.000 1.048 175 A CA -0.633 51.444 52.037 0.066 0.000 0.696 175 A CB 1.080 20.109 19.000 0.048 0.000 1.278 175 A HN 0.885 nan 8.150 nan 0.000 0.405 176 L N -1.136 120.143 121.223 0.093 0.000 5.766 176 L HA -0.175 4.165 4.340 -0.000 0.000 0.272 176 L C 0.515 177.459 176.870 0.124 0.000 1.146 176 L CA 0.688 55.593 54.840 0.108 0.000 1.320 176 L CB -0.631 41.491 42.059 0.106 0.000 2.115 176 L HN 1.845 nan 8.230 nan 0.000 0.874 177 A N 0.183 123.073 122.820 0.116 0.000 3.448 177 A HA 0.370 4.690 4.320 -0.000 0.000 0.232 177 A C 0.150 177.742 177.584 0.012 0.000 1.018 177 A CA 0.154 52.252 52.037 0.103 0.000 0.996 177 A CB -0.145 18.999 19.000 0.239 0.000 1.283 177 A HN 0.736 nan 8.150 nan 0.000 0.586 178 D N 0.246 120.697 120.400 0.085 0.000 2.328 178 D HA 0.290 4.930 4.640 -0.000 0.000 0.221 178 D C 0.542 177.008 176.300 0.276 0.000 1.072 178 D CA 0.604 54.734 54.000 0.217 0.000 0.850 178 D CB 0.283 41.280 40.800 0.329 0.000 0.922 178 D HN 0.438 nan 8.370 nan 0.000 0.516 179 A N 0.737 123.524 122.820 -0.056 0.000 2.290 179 A HA 0.417 4.737 4.320 -0.000 0.000 0.310 179 A C -0.601 176.908 177.584 -0.126 0.000 1.202 179 A CA -0.580 51.420 52.037 -0.061 0.000 0.837 179 A CB 0.466 19.169 19.000 -0.495 0.000 1.139 179 A HN 0.290 nan 8.150 nan 0.000 0.509 180 H N 2.115 121.292 119.070 0.179 0.000 2.762 180 H HA 0.120 4.676 4.556 -0.000 0.000 0.310 180 H C -1.426 174.017 175.328 0.192 0.000 1.004 180 H CA -0.280 55.835 56.048 0.112 0.000 1.267 180 H CB 1.135 30.863 29.762 -0.057 0.000 1.437 180 H HN 0.821 nan 8.280 nan 0.000 0.498 181 W N 6.950 128.301 121.300 0.086 0.000 2.247 181 W HA 0.137 4.797 4.660 -0.000 0.000 0.394 181 W C 0.655 177.210 176.519 0.060 0.000 0.939 181 W CA -0.894 56.502 57.345 0.084 0.000 1.548 181 W CB -0.313 29.191 29.460 0.074 0.000 1.610 181 W HN 0.470 nan 8.180 nan 0.000 0.336 182 V N 1.336 121.445 119.914 0.325 0.000 2.951 182 V HA 0.056 4.175 4.120 -0.000 0.000 0.255 182 V C 0.167 176.401 176.094 0.232 0.000 1.088 182 V CA 1.535 63.927 62.300 0.154 0.000 1.109 182 V CB -0.416 31.462 31.823 0.091 0.000 0.724 182 V HN 0.407 nan 8.190 nan 0.000 0.471 183 D N -2.125 118.436 120.400 0.269 0.000 2.665 183 D HA 0.159 4.798 4.640 -0.000 0.000 0.287 183 D C 0.786 177.231 176.300 0.242 0.000 1.266 183 D CA -0.299 53.807 54.000 0.177 0.000 0.830 183 D CB 1.368 42.279 40.800 0.184 0.000 1.356 183 D HN -0.097 nan 8.370 nan 0.000 0.437 184 K N -0.958 119.527 120.400 0.140 0.000 2.097 184 K HA -0.239 4.080 4.320 -0.000 0.000 0.214 184 K C 1.118 177.951 176.600 0.388 0.000 1.052 184 K CA 2.684 59.095 56.287 0.207 0.000 0.932 184 K CB -0.440 32.117 32.500 0.095 0.000 0.716 184 K HN 0.639 nan 8.250 nan 0.000 0.455 185 T N -2.688 112.036 114.554 0.283 0.000 3.132 185 T HA 0.193 4.543 4.350 -0.000 0.000 0.274 185 T C -0.171 174.656 174.700 0.211 0.000 1.011 185 T CA -0.644 61.593 62.100 0.229 0.000 0.899 185 T CB 0.706 69.661 68.868 0.145 0.000 1.089 185 T HN -0.052 nan 8.240 nan 0.000 0.543 186 T N 3.228 117.951 114.554 0.281 0.000 2.812 186 T HA 0.628 4.978 4.350 -0.000 0.000 0.282 186 T C -1.339 173.531 174.700 0.282 0.000 0.990 186 T CA -0.728 61.516 62.100 0.241 0.000 0.960 186 T CB 1.859 70.854 68.868 0.211 0.000 0.948 186 T HN 0.168 nan 8.240 nan 0.000 0.438 187 L N 4.972 126.332 121.223 0.229 0.000 2.372 187 L HA 0.567 4.906 4.340 -0.000 0.000 0.274 187 L C -1.420 175.670 176.870 0.366 0.000 0.988 187 L CA -0.823 54.164 54.840 0.245 0.000 0.833 187 L CB 1.102 43.230 42.059 0.114 0.000 1.236 187 L HN 0.671 nan 8.230 nan 0.000 0.410 188 L N 5.564 127.004 121.223 0.361 0.000 2.265 188 L HA 0.411 4.751 4.340 -0.000 0.000 0.289 188 L C -1.341 175.926 176.870 0.662 0.000 1.033 188 L CA -0.365 54.718 54.840 0.404 0.000 0.814 188 L CB 1.413 43.598 42.059 0.210 0.000 1.203 188 L HN 0.626 nan 8.230 nan 0.000 0.423 189 W N 7.586 129.158 121.300 0.452 0.000 3.326 189 W HA 0.432 5.092 4.660 -0.000 0.000 0.333 189 W C -2.649 174.054 176.519 0.306 0.000 1.108 189 W CA -1.879 55.698 57.345 0.388 0.000 1.245 189 W CB 1.864 31.499 29.460 0.291 0.000 1.331 189 W HN 0.133 nan 8.180 nan 0.000 0.464 190 P HA 0.043 nan 4.420 nan 0.000 0.233 190 P C 1.485 178.419 177.300 -0.611 0.000 1.167 190 P CA 1.700 64.606 63.100 -0.325 0.000 0.770 190 P CB 0.347 31.841 31.700 -0.343 0.000 0.837 191 G N -0.075 107.846 108.800 -1.466 0.000 2.430 191 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.216 191 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.216 191 G C 1.489 175.541 174.900 -1.413 0.000 1.146 191 G CA 0.595 44.734 45.100 -1.602 0.000 0.793 191 G HN 0.370 nan 8.290 nan 0.000 0.537 192 G N -0.203 107.733 108.800 -1.440 0.000 3.088 192 G HA2 0.180 4.140 3.960 -0.000 0.000 0.212 192 G HA3 0.180 4.140 3.960 -0.000 0.000 0.212 192 G C 0.402 175.284 174.900 -0.029 0.000 1.173 192 G CA -0.293 44.403 45.100 -0.673 0.000 0.779 192 G HN 0.459 nan 8.290 nan 0.000 0.540 193 E N 0.797 120.984 120.200 -0.022 0.000 2.415 193 E HA 0.013 4.363 4.350 -0.000 0.000 0.263 193 E C 0.491 177.086 176.600 -0.008 0.000 0.995 193 E CA -0.108 56.322 56.400 0.049 0.000 0.915 193 E CB -0.109 29.549 29.700 -0.070 0.000 0.951 193 E HN 0.436 nan 8.360 nan 0.000 0.449 194 N N 1.762 120.480 118.700 0.030 0.000 2.732 194 N HA -0.227 4.512 4.740 -0.000 0.000 0.250 194 N C -0.966 174.542 175.510 -0.004 0.000 1.097 194 N CA 0.490 53.543 53.050 0.006 0.000 0.812 194 N CB -0.499 37.975 38.487 -0.022 0.000 1.148 194 N HN 0.297 nan 8.380 nan 0.000 0.572 195 K N 0.392 120.789 120.400 -0.005 0.000 2.183 195 K HA 0.282 4.602 4.320 -0.000 0.000 0.274 195 K C -1.540 175.053 176.600 -0.011 0.000 1.009 195 K CA -1.978 54.287 56.287 -0.037 0.000 0.888 195 K CB 1.130 33.568 32.500 -0.105 0.000 1.078 195 K HN -0.192 nan 8.250 nan 0.000 0.459 196 P HA -0.056 nan 4.420 nan 0.000 0.215 196 P C -0.256 177.041 177.300 -0.005 0.000 1.157 196 P CA 0.939 64.040 63.100 0.001 0.000 0.863 196 P CB 0.329 32.029 31.700 -0.000 0.000 0.787 197 I N 0.185 120.741 120.570 -0.024 0.000 2.330 197 I HA 0.157 4.327 4.170 -0.000 0.000 0.286 197 I C -0.456 175.629 176.117 -0.054 0.000 1.025 197 I CA -0.640 60.641 61.300 -0.032 0.000 1.197 197 I CB 0.865 38.843 38.000 -0.037 0.000 1.358 197 I HN -0.286 nan 8.210 nan 0.000 0.467 198 V N 7.964 127.835 119.914 -0.071 0.000 2.378 198 V HA 0.544 4.664 4.120 -0.000 0.000 0.288 198 V C 0.174 176.229 176.094 -0.066 0.000 1.016 198 V CA -0.686 61.540 62.300 -0.124 0.000 0.840 198 V CB 1.804 33.391 31.823 -0.393 0.000 0.994 198 V HN 0.675 nan 8.190 nan 0.000 0.431 199 R N 3.477 123.976 120.500 -0.000 0.000 2.888 199 R HA 0.735 5.075 4.340 -0.000 0.000 0.264 199 R C -1.606 174.726 176.300 0.053 0.000 1.045 199 R CA -1.075 55.045 56.100 0.034 0.000 0.962 199 R CB 2.376 32.680 30.300 0.007 0.000 1.210 199 R HN 0.490 nan 8.270 nan 0.000 0.479 200 L N 2.152 123.398 121.223 0.039 0.000 2.384 200 L HA 0.404 4.743 4.340 -0.000 0.000 0.261 200 L C -1.540 175.405 176.870 0.126 0.000 1.024 200 L CA -0.410 54.437 54.840 0.012 0.000 0.899 200 L CB 0.390 42.361 42.059 -0.146 0.000 1.243 200 L HN 0.427 nan 8.230 nan 0.000 0.449 201 Y N 3.971 124.265 120.300 -0.011 0.000 2.326 201 Y HA 0.463 5.013 4.550 -0.000 0.000 0.333 201 Y C -0.155 175.783 175.900 0.064 0.000 1.240 201 Y CA 0.155 58.258 58.100 0.004 0.000 1.365 201 Y CB 0.759 39.197 38.460 -0.038 0.000 1.289 201 Y HN 0.565 nan 8.280 nan 0.000 0.548 202 Y N -1.606 118.776 120.300 0.137 0.000 2.544 202 Y HA 0.694 5.244 4.550 -0.000 0.000 0.342 202 Y C -1.040 174.898 175.900 0.063 0.000 1.062 202 Y CA -1.486 56.651 58.100 0.062 0.000 1.023 202 Y CB 1.700 40.182 38.460 0.036 0.000 1.308 202 Y HN 0.416 nan 8.280 nan 0.000 0.457 203 S N 0.909 116.730 115.700 0.202 0.000 2.677 203 S HA 0.240 4.709 4.470 -0.000 0.000 0.283 203 S C -0.213 174.461 174.600 0.123 0.000 1.159 203 S CA -0.448 57.835 58.200 0.138 0.000 1.001 203 S CB 0.507 63.740 63.200 0.056 0.000 1.032 203 S HN 0.996 nan 8.310 nan 0.000 0.487 204 H N 3.894 123.018 119.070 0.091 0.000 2.270 204 H HA 0.049 4.605 4.556 -0.000 0.000 0.299 204 H C 1.537 176.875 175.328 0.016 0.000 1.077 204 H CA 2.893 58.970 56.048 0.048 0.000 1.294 204 H CB 0.194 29.996 29.762 0.065 0.000 1.371 204 H HN 0.500 nan 8.280 nan 0.000 0.491 205 S N -0.999 114.718 115.700 0.029 0.000 2.512 205 S HA 0.239 4.709 4.470 -0.000 0.000 0.216 205 S C 0.419 175.022 174.600 0.004 0.000 1.006 205 S CA -0.149 58.034 58.200 -0.028 0.000 0.915 205 S CB 0.808 64.047 63.200 0.066 0.000 0.824 205 S HN 0.215 nan 8.310 nan 0.000 0.497 206 S N 1.273 116.985 115.700 0.021 0.000 2.767 206 S HA 0.465 4.935 4.470 -0.000 0.000 0.300 206 S C -0.342 174.268 174.600 0.016 0.000 1.123 206 S CA -0.746 57.468 58.200 0.023 0.000 0.992 206 S CB 1.340 64.557 63.200 0.029 0.000 1.138 206 S HN 0.194 nan 8.310 nan 0.000 0.550 207 K N 2.082 122.499 120.400 0.027 0.000 2.265 207 K HA 0.433 4.753 4.320 -0.000 0.000 0.267 207 K C -0.432 176.188 176.600 0.033 0.000 0.994 207 K CA -0.675 55.635 56.287 0.038 0.000 0.860 207 K CB 0.814 33.345 32.500 0.052 0.000 1.099 207 K HN 0.556 nan 8.250 nan 0.000 0.448 208 V N 1.553 121.495 119.914 0.047 0.000 2.694 208 V HA 0.537 4.657 4.120 -0.000 0.000 0.306 208 V C -0.219 175.910 176.094 0.058 0.000 1.054 208 V CA 0.058 62.402 62.300 0.074 0.000 1.161 208 V CB 0.332 32.224 31.823 0.115 0.000 0.916 208 V HN 0.868 nan 8.190 nan 0.000 0.490 209 A N 3.798 126.604 122.820 -0.024 0.000 2.573 209 A HA 0.796 5.115 4.320 -0.000 0.000 0.299 209 A C -0.170 177.100 177.584 -0.524 0.000 1.060 209 A CA -0.388 51.534 52.037 -0.191 0.000 0.736 209 A CB 0.638 19.573 19.000 -0.108 0.000 1.280 209 A HN 2.484 nan 8.150 nan 0.000 0.401 210 A N 2.303 124.455 122.820 -1.113 0.000 2.548 210 A HA 0.459 4.779 4.320 -0.000 0.000 0.247 210 A C 0.476 177.784 177.584 -0.461 0.000 1.067 210 A CA 0.727 52.087 52.037 -1.127 0.000 0.757 210 A CB -0.640 17.660 19.000 -1.166 0.000 0.996 210 A HN 1.251 nan 8.150 nan 0.000 0.504 211 D N 1.955 122.174 120.400 -0.303 0.000 2.372 211 D HA 0.147 4.787 4.640 -0.000 0.000 0.243 211 D C 1.414 177.632 176.300 -0.138 0.000 1.297 211 D CA 0.234 54.135 54.000 -0.164 0.000 0.958 211 D CB 0.093 40.833 40.800 -0.100 0.000 1.114 211 D HN 0.489 nan 8.370 nan 0.000 0.496 212 S N -0.354 115.292 115.700 -0.090 0.000 2.420 212 S HA -0.289 4.181 4.470 -0.000 0.000 0.237 212 S C 1.034 175.594 174.600 -0.066 0.000 1.023 212 S CA 1.147 59.305 58.200 -0.071 0.000 0.991 212 S CB -0.828 62.343 63.200 -0.048 0.000 0.792 212 S HN 0.513 nan 8.310 nan 0.000 0.488 213 N N 1.704 120.366 118.700 -0.064 0.000 2.434 213 N HA 0.320 5.060 4.740 -0.000 0.000 0.196 213 N C 1.132 176.607 175.510 -0.058 0.000 1.183 213 N CA 0.633 53.653 53.050 -0.049 0.000 0.849 213 N CB -0.318 38.150 38.487 -0.032 0.000 0.992 213 N HN 0.630 nan 8.380 nan 0.000 0.460 214 G N 0.029 108.773 108.800 -0.093 0.000 2.187 214 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.261 214 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.261 214 G C -0.278 174.569 174.900 -0.087 0.000 1.000 214 G CA 0.305 45.343 45.100 -0.104 0.000 0.718 214 G HN 0.454 nan 8.290 nan 0.000 0.519 215 E N -1.085 119.055 120.200 -0.100 0.000 2.195 215 E HA 0.561 4.911 4.350 -0.000 0.000 0.271 215 E C -0.738 175.806 176.600 -0.094 0.000 0.923 215 E CA -1.036 55.362 56.400 -0.003 0.000 0.790 215 E CB 0.875 30.595 29.700 0.033 0.000 1.155 215 E HN 0.084 nan 8.360 nan 0.000 0.402 216 F N 1.800 121.726 119.950 -0.040 0.000 2.499 216 F HA 0.074 4.601 4.527 -0.000 0.000 0.353 216 F C 0.963 176.812 175.800 0.081 0.000 1.196 216 F CA -0.547 57.423 58.000 -0.050 0.000 1.244 216 F CB 0.279 39.126 39.000 -0.256 0.000 1.577 216 F HN 0.257 nan 8.300 nan 0.000 0.614 217 S N -0.746 115.047 115.700 0.154 0.000 3.122 217 S HA 0.169 4.638 4.470 -0.000 0.000 0.249 217 S C -0.097 174.595 174.600 0.153 0.000 1.334 217 S CA -0.596 57.696 58.200 0.152 0.000 1.251 217 S CB -0.628 62.615 63.200 0.071 0.000 1.034 217 S HN 0.269 nan 8.310 nan 0.000 0.478 218 D N 1.697 122.249 120.400 0.254 0.000 2.326 218 D HA 0.401 5.041 4.640 -0.000 0.000 0.248 218 D C 0.012 176.350 176.300 0.063 0.000 1.001 218 D CA -0.704 53.389 54.000 0.154 0.000 0.961 218 D CB 1.051 41.971 40.800 0.199 0.000 1.183 218 D HN 0.225 nan 8.370 nan 0.000 0.502 219 K N 0.271 120.534 120.400 -0.228 0.000 2.219 219 K HA 0.361 4.681 4.320 -0.000 0.000 0.258 219 K C -0.582 175.575 176.600 -0.738 0.000 1.008 219 K CA -0.128 55.855 56.287 -0.507 0.000 0.928 219 K CB 0.592 32.699 32.500 -0.655 0.000 0.983 219 K HN 0.444 nan 8.250 nan 0.000 0.484 220 Y N -2.961 116.918 120.300 -0.701 0.000 2.750 220 Y HA 0.531 5.081 4.550 -0.000 0.000 0.335 220 Y C -1.321 174.454 175.900 -0.209 0.000 1.252 220 Y CA -1.570 56.167 58.100 -0.606 0.000 1.064 220 Y CB 0.641 38.370 38.460 -1.219 0.000 1.321 220 Y HN 0.244 nan 8.280 nan 0.000 0.451 221 V N -0.930 119.007 119.914 0.039 0.000 2.823 221 V HA 0.645 4.764 4.120 -0.000 0.000 0.312 221 V C -0.916 175.240 176.094 0.104 0.000 1.072 221 V CA -1.598 60.712 62.300 0.016 0.000 0.937 221 V CB 1.809 33.642 31.823 0.015 0.000 1.013 221 V HN 0.794 nan 8.190 nan 0.000 0.430 222 K N 3.741 124.188 120.400 0.078 0.000 2.297 222 K HA 0.582 4.902 4.320 -0.000 0.000 0.286 222 K C -0.984 175.646 176.600 0.050 0.000 1.053 222 K CA -0.249 56.095 56.287 0.094 0.000 0.940 222 K CB 1.190 33.742 32.500 0.086 0.000 1.019 222 K HN 0.599 nan 8.250 nan 0.000 0.475 223 L N 2.980 124.223 121.223 0.032 0.000 2.295 223 L HA 0.319 4.658 4.340 -0.000 0.000 0.285 223 L C 0.309 177.234 176.870 0.091 0.000 1.035 223 L CA -0.672 54.190 54.840 0.036 0.000 0.806 223 L CB 1.542 43.563 42.059 -0.063 0.000 1.214 223 L HN 0.716 nan 8.230 nan 0.000 0.426 224 T N 0.669 115.326 114.554 0.171 0.000 2.807 224 T HA 0.529 4.879 4.350 -0.000 0.000 0.279 224 T C -2.618 172.266 174.700 0.307 0.000 0.993 224 T CA -2.421 59.797 62.100 0.196 0.000 0.970 224 T CB 1.727 70.668 68.868 0.122 0.000 0.950 224 T HN 0.164 nan 8.240 nan 0.000 0.441 225 P HA 0.286 nan 4.420 nan 0.000 0.267 225 P C -0.087 177.250 177.300 0.060 0.000 1.195 225 P CA 0.325 63.545 63.100 0.200 0.000 0.773 225 P CB 0.489 32.274 31.700 0.141 0.000 0.837 226 T N -0.350 114.168 114.554 -0.060 0.000 2.677 226 T HA 0.533 4.883 4.350 -0.000 0.000 0.305 226 T C -1.494 173.162 174.700 -0.075 0.000 1.569 226 T CA -0.538 61.544 62.100 -0.030 0.000 0.984 226 T CB 0.533 69.414 68.868 0.021 0.000 1.629 226 T HN 0.387 nan 8.240 nan 0.000 0.494 227 T N -0.041 114.494 114.554 -0.032 0.000 2.824 227 T HA 0.642 4.992 4.350 -0.000 0.000 0.280 227 T C 0.255 174.952 174.700 -0.005 0.000 0.995 227 T CA -0.681 61.402 62.100 -0.030 0.000 1.009 227 T CB 1.326 70.186 68.868 -0.014 0.000 0.955 227 T HN 0.737 nan 8.240 nan 0.000 0.452 228 V N 5.037 124.949 119.914 -0.003 0.000 2.557 228 V HA 0.129 4.249 4.120 -0.000 0.000 0.301 228 V C 0.861 176.976 176.094 0.034 0.000 1.026 228 V CA -0.306 62.010 62.300 0.026 0.000 1.137 228 V CB -0.920 30.922 31.823 0.031 0.000 0.917 228 V HN 1.093 nan 8.190 nan 0.000 0.484 229 N N 4.079 122.808 118.700 0.049 0.000 2.317 229 N HA 0.055 4.795 4.740 -0.000 0.000 0.245 229 N C 0.692 176.228 175.510 0.042 0.000 1.294 229 N CA -0.306 52.771 53.050 0.044 0.000 0.924 229 N CB 0.541 39.060 38.487 0.053 0.000 1.186 229 N HN 0.784 nan 8.380 nan 0.000 0.495 230 Q N -0.493 119.327 119.800 0.033 0.000 2.311 230 Q HA -0.158 4.182 4.340 -0.000 0.000 0.203 230 Q C 1.457 177.472 176.000 0.025 0.000 0.954 230 Q CA 1.148 56.967 55.803 0.027 0.000 0.885 230 Q CB 0.155 28.905 28.738 0.020 0.000 0.963 230 Q HN 0.645 nan 8.270 nan 0.000 0.471 231 Q N -0.626 119.192 119.800 0.031 0.000 2.016 231 Q HA -0.106 4.233 4.340 -0.000 0.000 0.200 231 Q C 2.029 178.045 176.000 0.026 0.000 0.978 231 Q CA 1.603 57.420 55.803 0.024 0.000 0.833 231 Q CB -0.227 28.532 28.738 0.035 0.000 0.895 231 Q HN 0.177 nan 8.270 nan 0.000 0.427 232 V N 0.082 120.040 119.914 0.074 0.000 2.515 232 V HA -0.206 3.914 4.120 -0.000 0.000 0.250 232 V C 2.233 178.397 176.094 0.118 0.000 1.058 232 V CA 1.678 64.064 62.300 0.142 0.000 1.064 232 V CB -0.576 31.361 31.823 0.191 0.000 0.675 232 V HN 0.377 nan 8.190 nan 0.000 0.461 233 S N -0.534 115.208 115.700 0.069 0.000 2.368 233 S HA -0.182 4.288 4.470 -0.000 0.000 0.225 233 S C 1.992 176.611 174.600 0.032 0.000 1.030 233 S CA 1.769 60.001 58.200 0.054 0.000 0.999 233 S CB -0.210 63.013 63.200 0.038 0.000 0.844 233 S HN 0.524 nan 8.310 nan 0.000 0.459 234 M N 0.247 119.848 119.600 0.002 0.000 2.200 234 M HA 0.019 4.499 4.480 -0.000 0.000 0.265 234 M C 2.411 178.661 176.300 -0.082 0.000 1.066 234 M CA 1.113 56.400 55.300 -0.021 0.000 1.127 234 M CB -0.246 32.341 32.600 -0.022 0.000 1.379 234 M HN 0.222 nan 8.290 nan 0.000 0.420 235 R N -0.228 120.155 120.500 -0.196 0.000 2.075 235 R HA -0.056 4.284 4.340 -0.000 0.000 0.232 235 R C -0.022 175.861 176.300 -0.695 0.000 1.126 235 R CA 0.978 56.757 56.100 -0.535 0.000 0.963 235 R CB 0.001 29.805 30.300 -0.826 0.000 0.858 235 R HN 0.240 nan 8.270 nan 0.000 0.435 236 F N -0.590 119.419 119.950 0.098 0.000 2.622 236 F HA 0.331 4.858 4.527 -0.000 0.000 0.338 236 F C -1.945 173.897 175.800 0.070 0.000 1.334 236 F CA -2.345 55.735 58.000 0.132 0.000 1.179 236 F CB 1.695 40.667 39.000 -0.046 0.000 1.471 236 F HN -0.218 nan 8.300 nan 0.000 0.576 237 P HA -0.223 nan 4.420 nan 0.000 0.216 237 P C 1.272 178.654 177.300 0.136 0.000 1.150 237 P CA 1.875 65.061 63.100 0.142 0.000 0.843 237 P CB -0.204 31.561 31.700 0.109 0.000 0.787 238 H N -2.167 116.907 119.070 0.007 0.000 2.561 238 H HA 0.097 4.653 4.556 -0.000 0.000 0.278 238 H C 1.323 176.586 175.328 -0.109 0.000 1.014 238 H CA 0.443 56.472 56.048 -0.033 0.000 1.211 238 H CB -0.868 28.865 29.762 -0.049 0.000 1.365 238 H HN 0.160 nan 8.280 nan 0.000 0.594 239 L N -0.155 120.763 121.223 -0.508 0.000 2.781 239 L HA 0.400 4.740 4.340 -0.000 0.000 0.245 239 L C 2.314 179.023 176.870 -0.268 0.000 1.118 239 L CA 0.319 54.724 54.840 -0.727 0.000 0.918 239 L CB 0.167 41.633 42.059 -0.989 0.000 1.246 239 L HN 0.381 nan 8.230 nan 0.000 0.526 240 A N -0.039 122.730 122.820 -0.084 0.000 2.194 240 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 240 A C 2.423 180.035 177.584 0.047 0.000 1.162 240 A CA 2.043 54.083 52.037 0.006 0.000 0.674 240 A CB -0.336 18.681 19.000 0.028 0.000 0.789 240 A HN 0.357 nan 8.150 nan 0.000 0.470 241 S N -1.873 113.888 115.700 0.102 0.000 2.470 241 S HA 0.114 4.584 4.470 -0.000 0.000 0.222 241 S C 0.593 175.319 174.600 0.209 0.000 1.024 241 S CA -0.516 57.771 58.200 0.145 0.000 0.931 241 S CB -0.318 62.974 63.200 0.155 0.000 0.791 241 S HN 0.553 nan 8.310 nan 0.000 0.513 242 Y N 2.377 122.655 120.300 -0.037 0.000 2.578 242 Y HA 0.197 4.747 4.550 -0.000 0.000 0.339 242 Y C -2.104 173.759 175.900 -0.062 0.000 1.231 242 Y CA -2.297 55.789 58.100 -0.022 0.000 1.461 242 Y CB 0.004 38.476 38.460 0.021 0.000 1.323 242 Y HN 0.205 nan 8.280 nan 0.000 0.590 243 P HA 0.048 nan 4.420 nan 0.000 0.267 243 P C -1.075 176.023 177.300 -0.338 0.000 1.209 243 P CA 0.100 63.079 63.100 -0.202 0.000 0.763 243 P CB 0.591 32.149 31.700 -0.237 0.000 0.816 244 A N 3.823 126.409 122.820 -0.389 0.000 2.316 244 A HA 0.695 5.015 4.320 -0.000 0.000 0.284 244 A C -0.799 176.420 177.584 -0.607 0.000 1.115 244 A CA -0.092 51.764 52.037 -0.303 0.000 0.812 244 A CB 0.011 18.947 19.000 -0.105 0.000 1.064 244 A HN 0.388 nan 8.150 nan 0.000 0.489 245 F N 0.919 120.935 119.950 0.110 0.000 2.565 245 F HA 0.458 4.985 4.527 -0.000 0.000 0.313 245 F C 0.370 176.214 175.800 0.072 0.000 1.091 245 F CA -0.711 57.343 58.000 0.090 0.000 0.915 245 F CB 2.169 41.238 39.000 0.115 0.000 1.208 245 F HN 0.349 nan 8.300 nan 0.000 0.453 246 K N 2.905 123.454 120.400 0.249 0.000 2.138 246 K HA 0.613 4.933 4.320 -0.000 0.000 0.263 246 K C -0.928 175.742 176.600 0.116 0.000 0.965 246 K CA -0.486 55.894 56.287 0.154 0.000 0.868 246 K CB 1.757 34.327 32.500 0.117 0.000 1.083 246 K HN 0.630 nan 8.250 nan 0.000 0.443 247 L N 4.592 125.865 121.223 0.083 0.000 2.334 247 L HA 0.415 4.755 4.340 -0.000 0.000 0.275 247 L C -1.876 175.027 176.870 0.056 0.000 1.036 247 L CA -2.112 52.751 54.840 0.039 0.000 0.807 247 L CB 1.677 43.741 42.059 0.007 0.000 1.231 247 L HN 0.433 nan 8.230 nan 0.000 0.438 248 P HA 0.023 nan 4.420 nan 0.000 0.268 248 P C -0.732 176.597 177.300 0.048 0.000 1.205 248 P CA -0.182 62.941 63.100 0.040 0.000 0.771 248 P CB 0.764 32.478 31.700 0.024 0.000 0.858 249 D N 0.826 121.254 120.400 0.046 0.000 2.390 249 D HA -0.107 4.533 4.640 -0.000 0.000 0.235 249 D C 0.747 177.070 176.300 0.038 0.000 1.040 249 D CA 1.097 55.125 54.000 0.048 0.000 0.923 249 D CB -0.386 40.439 40.800 0.041 0.000 0.886 249 D HN 0.526 nan 8.370 nan 0.000 0.532 250 D N -1.415 119.004 120.400 0.031 0.000 2.469 250 D HA 0.010 4.649 4.640 -0.000 0.000 0.213 250 D C 0.460 176.772 176.300 0.020 0.000 1.135 250 D CA -0.402 53.611 54.000 0.021 0.000 0.834 250 D CB 0.063 40.871 40.800 0.012 0.000 1.009 250 D HN -0.014 nan 8.370 nan 0.000 0.507 251 V N 1.187 121.119 119.914 0.031 0.000 2.740 251 V HA 0.040 4.160 4.120 -0.000 0.000 0.303 251 V C 0.160 176.274 176.094 0.034 0.000 1.054 251 V CA -0.239 62.077 62.300 0.027 0.000 1.106 251 V CB 0.809 32.656 31.823 0.041 0.000 0.957 251 V HN 0.347 nan 8.190 nan 0.000 0.486 252 N N 4.528 123.227 118.700 -0.002 0.000 2.739 252 N HA 0.118 4.858 4.740 -0.000 0.000 0.266 252 N C 1.137 176.657 175.510 0.018 0.000 1.168 252 N CA 0.116 53.161 53.050 -0.007 0.000 1.055 252 N CB 0.852 39.315 38.487 -0.040 0.000 1.393 252 N HN 0.752 nan 8.380 nan 0.000 0.514 253 V N 0.746 120.706 119.914 0.077 0.000 2.282 253 V HA -0.258 3.861 4.120 -0.000 0.000 0.249 253 V C 1.740 177.854 176.094 0.033 0.000 1.057 253 V CA 2.123 64.493 62.300 0.118 0.000 1.032 253 V CB -0.677 31.150 31.823 0.007 0.000 0.645 253 V HN 0.536 nan 8.190 nan 0.000 0.447 254 D N 0.355 120.769 120.400 0.022 0.000 2.123 254 D HA -0.240 4.400 4.640 -0.000 0.000 0.196 254 D C 2.093 178.427 176.300 0.057 0.000 0.992 254 D CA 1.690 55.737 54.000 0.078 0.000 0.833 254 D CB -0.202 40.654 40.800 0.093 0.000 0.954 254 D HN 0.664 nan 8.370 nan 0.000 0.455 255 E N -0.625 119.582 120.200 0.012 0.000 2.072 255 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 255 E C 1.888 178.465 176.600 -0.038 0.000 0.985 255 E CA 0.805 57.196 56.400 -0.015 0.000 0.801 255 E CB -0.300 29.355 29.700 -0.073 0.000 0.750 255 E HN 0.273 nan 8.360 nan 0.000 0.452 256 L N 0.029 121.193 121.223 -0.098 0.000 2.156 256 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 256 L C 2.091 179.012 176.870 0.086 0.000 1.095 256 L CA 1.039 55.819 54.840 -0.100 0.000 0.770 256 L CB -0.364 41.666 42.059 -0.049 0.000 0.914 256 L HN 0.213 nan 8.230 nan 0.000 0.439 257 L N -0.966 120.310 121.223 0.088 0.000 2.551 257 L HA -0.100 4.239 4.340 -0.000 0.000 0.228 257 L C 2.182 179.082 176.870 0.051 0.000 1.153 257 L CA 0.252 55.127 54.840 0.059 0.000 0.851 257 L CB -0.382 41.676 42.059 -0.002 0.000 0.959 257 L HN 0.335 nan 8.230 nan 0.000 0.451 258 Q N -0.083 119.759 119.800 0.070 0.000 2.311 258 Q HA 0.075 4.414 4.340 -0.000 0.000 0.203 258 Q C 1.116 177.098 176.000 -0.030 0.000 0.954 258 Q CA 0.898 56.751 55.803 0.083 0.000 0.885 258 Q CB 0.428 29.304 28.738 0.230 0.000 0.963 258 Q HN 0.522 nan 8.270 nan 0.000 0.471 259 G N -0.059 108.697 108.800 -0.073 0.000 3.247 259 G HA2 0.303 4.262 3.960 -0.000 0.000 0.199 259 G HA3 0.303 4.262 3.960 -0.000 0.000 0.199 259 G C -1.315 173.227 174.900 -0.596 0.000 1.172 259 G CA -0.526 44.403 45.100 -0.285 0.000 0.844 259 G HN 0.071 nan 8.290 nan 0.000 0.619 260 E N 0.035 119.774 120.200 -0.768 0.000 2.249 260 E HA 0.516 4.866 4.350 -0.000 0.000 0.280 260 E C -0.581 175.896 176.600 -0.204 0.000 1.016 260 E CA -0.479 55.417 56.400 -0.841 0.000 0.830 260 E CB 1.052 30.291 29.700 -0.769 0.000 1.081 260 E HN 0.512 nan 8.360 nan 0.000 0.395 261 T N 0.344 114.854 114.554 -0.073 0.000 2.841 261 T HA 0.598 4.948 4.350 -0.000 0.000 0.283 261 T C -0.688 174.027 174.700 0.025 0.000 1.000 261 T CA -0.807 61.332 62.100 0.066 0.000 0.977 261 T CB 1.454 70.410 68.868 0.146 0.000 0.979 261 T HN 0.173 nan 8.240 nan 0.000 0.446 262 V N 1.876 121.801 119.914 0.018 0.000 2.623 262 V HA 0.748 4.868 4.120 -0.000 0.000 0.304 262 V C 0.178 176.177 176.094 -0.159 0.000 1.054 262 V CA -1.153 61.103 62.300 -0.072 0.000 0.882 262 V CB 1.730 33.527 31.823 -0.044 0.000 1.002 262 V HN 1.313 nan 8.190 nan 0.000 0.424 263 A N 6.433 129.012 122.820 -0.402 0.000 2.320 263 A HA 0.840 5.159 4.320 -0.000 0.000 0.287 263 A C -0.530 176.672 177.584 -0.637 0.000 1.181 263 A CA -0.145 51.505 52.037 -0.646 0.000 0.831 263 A CB 0.089 18.314 19.000 -1.291 0.000 1.102 263 A HN 0.754 nan 8.150 nan 0.000 0.513 264 I N 1.542 121.950 120.570 -0.270 0.000 2.608 264 I HA 0.619 4.789 4.170 -0.000 0.000 0.295 264 I C 0.223 176.406 176.117 0.111 0.000 1.049 264 I CA -0.519 60.690 61.300 -0.151 0.000 1.063 264 I CB 2.278 39.978 38.000 -0.500 0.000 1.248 264 I HN 0.689 nan 8.210 nan 0.000 0.424 265 A N 4.415 127.338 122.820 0.172 0.000 2.371 265 A HA 0.969 5.289 4.320 -0.000 0.000 0.311 265 A C -0.957 176.601 177.584 -0.043 0.000 1.068 265 A CA -0.443 51.627 52.037 0.055 0.000 0.744 265 A CB 1.697 20.668 19.000 -0.049 0.000 1.239 265 A HN 0.854 nan 8.150 nan 0.000 0.435 266 A N 1.489 124.274 122.820 -0.058 0.000 2.556 266 A HA 0.785 5.105 4.320 -0.000 0.000 0.294 266 A C -0.532 177.033 177.584 -0.031 0.000 1.091 266 A CA -0.635 51.373 52.037 -0.048 0.000 0.704 266 A CB 0.826 19.785 19.000 -0.069 0.000 1.300 266 A HN 0.708 nan 8.150 nan 0.000 0.406 267 E N 0.366 120.558 120.200 -0.012 0.000 2.397 267 E HA 0.166 4.515 4.350 -0.000 0.000 0.254 267 E C 1.553 178.149 176.600 -0.006 0.000 1.231 267 E CA 0.642 57.037 56.400 -0.007 0.000 0.954 267 E CB 0.554 30.257 29.700 0.006 0.000 1.024 267 E HN 0.747 nan 8.360 nan 0.000 0.481 268 S N 0.504 116.203 115.700 -0.001 0.000 2.420 268 S HA -0.206 4.264 4.470 -0.000 0.000 0.237 268 S C 1.021 175.623 174.600 0.004 0.000 1.023 268 S CA 1.635 59.837 58.200 0.002 0.000 0.991 268 S CB -0.219 62.984 63.200 0.005 0.000 0.792 268 S HN 0.612 nan 8.310 nan 0.000 0.488 269 D N 0.357 120.760 120.400 0.004 0.000 2.349 269 D HA 0.176 4.816 4.640 -0.000 0.000 0.224 269 D C 1.501 177.804 176.300 0.005 0.000 1.029 269 D CA 0.794 54.797 54.000 0.006 0.000 0.879 269 D CB -0.441 40.362 40.800 0.005 0.000 0.906 269 D HN 0.647 nan 8.370 nan 0.000 0.528 270 G N 0.895 109.696 108.800 0.001 0.000 2.213 270 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.236 270 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.236 270 G C 0.311 175.209 174.900 -0.003 0.000 0.991 270 G CA 0.030 45.129 45.100 -0.003 0.000 0.629 270 G HN 0.402 nan 8.290 nan 0.000 0.517 271 I N 2.230 122.805 120.570 0.008 0.000 2.598 271 I HA 0.235 4.405 4.170 -0.000 0.000 0.284 271 I C 1.327 177.467 176.117 0.038 0.000 1.140 271 I CA -0.369 60.944 61.300 0.022 0.000 1.420 271 I CB 0.932 38.945 38.000 0.022 0.000 1.387 271 I HN 0.311 nan 8.210 nan 0.000 0.553 272 L N 6.718 127.972 121.223 0.052 0.000 2.485 272 L HA -0.010 4.330 4.340 -0.000 0.000 0.275 272 L C 1.258 178.227 176.870 0.165 0.000 1.207 272 L CA 0.371 55.235 54.840 0.040 0.000 0.855 272 L CB 0.929 42.981 42.059 -0.010 0.000 1.114 272 L HN 0.875 nan 8.230 nan 0.000 0.485 273 S N 0.722 116.447 115.700 0.043 0.000 2.554 273 S HA 0.259 4.728 4.470 -0.000 0.000 0.227 273 S C 0.144 174.687 174.600 -0.095 0.000 1.050 273 S CA 0.226 58.422 58.200 -0.007 0.000 0.927 273 S CB 0.213 63.394 63.200 -0.031 0.000 0.859 273 S HN 0.861 nan 8.310 nan 0.000 0.494 274 S N -0.097 115.583 115.700 -0.033 0.000 2.606 274 S HA 0.718 5.187 4.470 -0.000 0.000 0.290 274 S C -1.288 173.387 174.600 0.124 0.000 1.103 274 S CA -0.396 57.825 58.200 0.035 0.000 0.870 274 S CB 0.885 64.138 63.200 0.089 0.000 1.077 274 S HN 1.357 nan 8.310 nan 0.000 0.448 275 A N 1.304 124.165 122.820 0.069 0.000 2.427 275 A HA 0.925 5.245 4.320 -0.000 0.000 0.298 275 A C -0.379 177.183 177.584 -0.037 0.000 1.036 275 A CA -0.438 51.566 52.037 -0.055 0.000 0.701 275 A CB 1.830 20.738 19.000 -0.152 0.000 1.250 275 A HN 1.428 nan 8.150 nan 0.000 0.412 276 T N 0.919 115.361 114.554 -0.186 0.000 2.883 276 T HA 0.471 4.821 4.350 -0.000 0.000 0.301 276 T C -0.577 174.022 174.700 -0.169 0.000 1.158 276 T CA -0.341 61.680 62.100 -0.131 0.000 1.007 276 T CB 1.310 70.125 68.868 -0.087 0.000 1.186 276 T HN 0.748 nan 8.240 nan 0.000 0.499 277 Q N 1.074 120.863 119.800 -0.018 0.000 2.443 277 Q HA 0.503 4.842 4.340 -0.000 0.000 0.232 277 Q C -0.730 175.293 176.000 0.038 0.000 1.026 277 Q CA -0.497 55.340 55.803 0.056 0.000 0.924 277 Q CB 1.021 29.877 28.738 0.197 0.000 1.256 277 Q HN 0.435 nan 8.270 nan 0.000 0.519 278 V N 1.821 121.805 119.914 0.117 0.000 2.495 278 V HA 0.181 4.301 4.120 -0.000 0.000 0.298 278 V C -0.576 175.696 176.094 0.296 0.000 1.031 278 V CA -0.764 61.607 62.300 0.119 0.000 0.871 278 V CB 1.671 33.560 31.823 0.109 0.000 0.988 278 V HN 0.694 nan 8.190 nan 0.000 0.432 279 Q N 1.962 121.861 119.800 0.164 0.000 2.294 279 Q HA 0.297 4.637 4.340 -0.000 0.000 0.257 279 Q C 0.664 176.808 176.000 0.239 0.000 0.955 279 Q CA -0.077 55.861 55.803 0.226 0.000 0.936 279 Q CB 1.326 30.013 28.738 -0.084 0.000 1.188 279 Q HN 0.955 nan 8.270 nan 0.000 0.420 280 T N -2.154 112.569 114.554 0.281 0.000 3.092 280 T HA 0.240 4.590 4.350 -0.000 0.000 0.258 280 T C 1.523 176.287 174.700 0.106 0.000 1.031 280 T CA 0.293 62.499 62.100 0.176 0.000 0.925 280 T CB 0.366 69.316 68.868 0.137 0.000 1.036 280 T HN 0.506 nan 8.240 nan 0.000 0.544 281 A N 2.000 124.901 122.820 0.135 0.000 1.917 281 A HA 0.139 4.459 4.320 -0.000 0.000 0.219 281 A C 2.530 180.133 177.584 0.031 0.000 1.182 281 A CA 1.879 53.963 52.037 0.079 0.000 0.633 281 A CB -1.585 17.314 19.000 -0.169 0.000 0.819 281 A HN 0.609 nan 8.150 nan 0.000 0.448 282 G N -1.091 107.710 108.800 0.001 0.000 2.421 282 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.216 282 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.216 282 G C 1.617 176.579 174.900 0.103 0.000 1.171 282 G CA 1.211 46.390 45.100 0.131 0.000 0.775 282 G HN 0.610 nan 8.290 nan 0.000 0.543 283 V N 0.589 120.463 119.914 -0.066 0.000 2.667 283 V HA 0.048 4.168 4.120 -0.000 0.000 0.252 283 V C 2.764 178.755 176.094 -0.171 0.000 1.065 283 V CA 1.168 63.313 62.300 -0.258 0.000 1.083 283 V CB -0.204 31.070 31.823 -0.915 0.000 0.692 283 V HN 0.402 nan 8.190 nan 0.000 0.468 284 L N -0.267 120.942 121.223 -0.023 0.000 2.046 284 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 284 L C 2.411 179.438 176.870 0.260 0.000 1.077 284 L CA 2.091 57.026 54.840 0.159 0.000 0.747 284 L CB -0.701 41.490 42.059 0.220 0.000 0.896 284 L HN 0.327 nan 8.230 nan 0.000 0.432 285 D N -0.259 120.295 120.400 0.257 0.000 2.097 285 D HA -0.204 4.436 4.640 -0.000 0.000 0.197 285 D C 1.766 178.133 176.300 0.111 0.000 0.984 285 D CA 1.276 55.409 54.000 0.223 0.000 0.826 285 D CB -0.152 40.779 40.800 0.219 0.000 0.973 285 D HN 0.240 nan 8.370 nan 0.000 0.460 286 D N -0.911 119.530 120.400 0.068 0.000 2.182 286 D HA -0.102 4.537 4.640 -0.000 0.000 0.201 286 D C 1.614 177.878 176.300 -0.061 0.000 0.986 286 D CA 1.352 55.362 54.000 0.017 0.000 0.847 286 D CB 0.145 40.961 40.800 0.026 0.000 0.942 286 D HN 0.085 nan 8.370 nan 0.000 0.467 287 T N -1.643 112.814 114.554 -0.161 0.000 2.901 287 T HA -0.008 4.342 4.350 -0.000 0.000 0.252 287 T C 0.970 175.432 174.700 -0.396 0.000 1.035 287 T CA 0.815 62.680 62.100 -0.392 0.000 1.142 287 T CB -0.165 68.245 68.868 -0.764 0.000 0.869 287 T HN 0.209 nan 8.240 nan 0.000 0.442 288 Y N 0.378 120.735 120.300 0.096 0.000 2.483 288 Y HA 0.594 5.144 4.550 -0.000 0.000 0.258 288 Y C 2.420 178.383 175.900 0.104 0.000 1.083 288 Y CA -0.475 57.720 58.100 0.157 0.000 1.283 288 Y CB -0.687 37.973 38.460 0.333 0.000 1.178 288 Y HN 0.129 nan 8.280 nan 0.000 0.515 289 A N 1.279 124.212 122.820 0.188 0.000 1.881 289 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 289 A C 2.477 180.056 177.584 -0.008 0.000 1.215 289 A CA 2.880 54.923 52.037 0.011 0.000 0.648 289 A CB -1.340 17.681 19.000 0.035 0.000 0.832 289 A HN 0.413 nan 8.150 nan 0.000 0.455 290 A N -0.552 122.283 122.820 0.025 0.000 1.873 290 A HA 0.059 4.379 4.320 -0.000 0.000 0.218 290 A C 2.580 180.181 177.584 0.028 0.000 1.193 290 A CA 2.856 54.904 52.037 0.018 0.000 0.629 290 A CB -1.243 17.769 19.000 0.019 0.000 0.826 290 A HN 1.328 nan 8.150 nan 0.000 0.447 291 A N -0.493 122.362 122.820 0.059 0.000 1.902 291 A HA 0.174 4.494 4.320 -0.000 0.000 0.217 291 A C 2.481 180.112 177.584 0.078 0.000 1.181 291 A CA 2.156 54.238 52.037 0.075 0.000 0.623 291 A CB -0.951 18.119 19.000 0.117 0.000 0.818 291 A HN 1.133 nan 8.150 nan 0.000 0.443 292 A N -0.494 122.371 122.820 0.074 0.000 1.968 292 A HA -0.083 4.236 4.320 -0.000 0.000 0.217 292 A C 1.858 179.454 177.584 0.020 0.000 1.169 292 A CA 1.415 53.468 52.037 0.027 0.000 0.638 292 A CB -0.416 18.390 19.000 -0.324 0.000 0.812 292 A HN 0.621 nan 8.150 nan 0.000 0.446 293 E N -0.269 119.912 120.200 -0.031 0.000 2.204 293 E HA -0.065 4.285 4.350 -0.000 0.000 0.194 293 E C 1.923 178.550 176.600 0.046 0.000 0.989 293 E CA 0.739 57.140 56.400 0.001 0.000 0.824 293 E CB -0.174 29.516 29.700 -0.017 0.000 0.756 293 E HN 0.617 nan 8.360 nan 0.000 0.477 294 A N 0.457 123.297 122.820 0.033 0.000 2.235 294 A HA 0.081 4.401 4.320 -0.000 0.000 0.208 294 A C 0.816 178.398 177.584 -0.002 0.000 1.172 294 A CA 0.307 52.354 52.037 0.018 0.000 0.786 294 A CB -0.045 18.960 19.000 0.009 0.000 0.804 294 A HN 0.039 nan 8.150 nan 0.000 0.479 295 L N -0.982 120.239 121.223 -0.004 0.000 2.332 295 L HA 0.485 4.825 4.340 -0.000 0.000 0.269 295 L C 0.020 176.760 176.870 -0.218 0.000 1.016 295 L CA -0.658 54.093 54.840 -0.149 0.000 0.809 295 L CB 1.932 43.831 42.059 -0.268 0.000 1.280 295 L HN -0.035 nan 8.230 nan 0.000 0.447 296 S N -0.741 114.741 115.700 -0.364 0.000 2.549 296 S HA 0.676 5.146 4.470 -0.000 0.000 0.297 296 S C -1.169 173.041 174.600 -0.649 0.000 1.115 296 S CA -0.435 57.598 58.200 -0.279 0.000 1.059 296 S CB 1.214 64.353 63.200 -0.101 0.000 1.046 296 S HN 0.248 nan 8.310 nan 0.000 0.506 297 Y N 0.327 120.443 120.300 -0.307 0.000 2.621 297 Y HA 0.751 5.301 4.550 -0.000 0.000 0.334 297 Y C 0.903 176.634 175.900 -0.281 0.000 1.074 297 Y CA 0.060 57.881 58.100 -0.465 0.000 1.149 297 Y CB 1.380 39.189 38.460 -1.085 0.000 1.302 297 Y HN 1.014 nan 8.280 nan 0.000 0.501 298 G N 0.090 108.940 108.800 0.082 0.000 2.610 298 G HA2 0.176 4.136 3.960 -0.000 0.000 0.304 298 G HA3 0.176 4.136 3.960 -0.000 0.000 0.304 298 G C -1.228 173.717 174.900 0.076 0.000 1.309 298 G CA -0.656 44.564 45.100 0.200 0.000 0.906 298 G HN 1.145 nan 8.290 nan 0.000 0.521 299 A N 0.084 122.880 122.820 -0.039 0.000 2.506 299 A HA 0.635 4.955 4.320 -0.000 0.000 0.320 299 A C 0.488 177.874 177.584 -0.330 0.000 1.424 299 A CA 0.195 51.933 52.037 -0.498 0.000 1.044 299 A CB -0.105 18.530 19.000 -0.609 0.000 1.140 299 A HN 0.616 nan 8.150 nan 0.000 0.538 300 Q N 1.561 121.182 119.800 -0.299 0.000 2.406 300 Q HA 0.339 4.679 4.340 -0.000 0.000 0.242 300 Q C -0.735 175.157 176.000 -0.180 0.000 1.036 300 Q CA -0.300 55.407 55.803 -0.160 0.000 0.904 300 Q CB 1.315 29.990 28.738 -0.105 0.000 1.244 300 Q HN 0.658 nan 8.270 nan 0.000 0.478 301 L N 2.805 123.946 121.223 -0.137 0.000 2.295 301 L HA 0.277 4.617 4.340 -0.000 0.000 0.288 301 L C -0.052 176.776 176.870 -0.070 0.000 1.079 301 L CA 0.687 55.459 54.840 -0.113 0.000 0.830 301 L CB 0.826 42.831 42.059 -0.091 0.000 1.200 301 L HN 0.512 nan 8.230 nan 0.000 0.438 302 T N 1.457 115.970 114.554 -0.068 0.000 2.864 302 T HA 0.277 4.627 4.350 -0.000 0.000 0.276 302 T C 0.659 175.334 174.700 -0.041 0.000 1.006 302 T CA -0.266 61.804 62.100 -0.050 0.000 0.970 302 T CB 0.920 69.757 68.868 -0.052 0.000 1.420 302 T HN 0.642 nan 8.240 nan 0.000 0.601 303 D N 0.582 120.961 120.400 -0.035 0.000 2.123 303 D HA -0.021 4.618 4.640 -0.000 0.000 0.200 303 D C 2.274 178.556 176.300 -0.031 0.000 0.976 303 D CA 1.630 55.613 54.000 -0.029 0.000 0.831 303 D CB -0.485 40.300 40.800 -0.024 0.000 0.974 303 D HN 0.525 nan 8.370 nan 0.000 0.469 304 S N -0.862 114.816 115.700 -0.038 0.000 2.515 304 S HA 0.269 4.739 4.470 -0.000 0.000 0.231 304 S C 1.229 175.801 174.600 -0.046 0.000 0.987 304 S CA 0.747 58.922 58.200 -0.042 0.000 0.936 304 S CB 0.294 63.465 63.200 -0.048 0.000 0.766 304 S HN 0.384 nan 8.310 nan 0.000 0.528 305 G N -0.184 108.588 108.800 -0.047 0.000 2.295 305 G HA2 0.252 4.211 3.960 -0.000 0.000 0.155 305 G HA3 0.252 4.211 3.960 -0.000 0.000 0.155 305 G C -1.237 173.626 174.900 -0.061 0.000 1.307 305 G CA -0.234 44.840 45.100 -0.044 0.000 1.140 305 G HN 0.966 nan 8.290 nan 0.000 0.470 306 V N 0.179 120.056 119.914 -0.062 0.000 2.925 306 V HA 0.845 4.965 4.120 -0.000 0.000 0.311 306 V C -0.852 175.179 176.094 -0.105 0.000 1.104 306 V CA 0.234 62.460 62.300 -0.123 0.000 0.954 306 V CB 2.160 33.884 31.823 -0.165 0.000 1.022 306 V HN 1.215 nan 8.190 nan 0.000 0.427 307 T N 6.789 121.239 114.554 -0.174 0.000 2.847 307 T HA 0.595 4.945 4.350 -0.000 0.000 0.291 307 T C -1.013 173.626 174.700 -0.103 0.000 0.998 307 T CA 0.029 62.092 62.100 -0.063 0.000 0.967 307 T CB 0.663 69.489 68.868 -0.071 0.000 0.954 307 T HN 0.396 nan 8.240 nan 0.000 0.441 308 F N 2.527 122.549 119.950 0.120 0.000 2.404 308 F HA 0.687 5.213 4.527 -0.000 0.000 0.339 308 F C 0.795 176.703 175.800 0.181 0.000 1.105 308 F CA -0.921 57.181 58.000 0.170 0.000 1.087 308 F CB 1.201 40.358 39.000 0.262 0.000 1.143 308 F HN 0.252 nan 8.300 nan 0.000 0.491 309 R N 2.156 122.851 120.500 0.324 0.000 2.522 309 R HA 0.724 5.064 4.340 -0.000 0.000 0.283 309 R C -2.406 174.076 176.300 0.304 0.000 1.074 309 R CA -0.624 55.598 56.100 0.204 0.000 0.925 309 R CB 2.109 32.349 30.300 -0.100 0.000 1.205 309 R HN 0.615 nan 8.270 nan 0.000 0.436 310 V N 5.207 125.287 119.914 0.277 0.000 2.760 310 V HA 0.529 4.649 4.120 -0.000 0.000 0.309 310 V C -1.588 174.738 176.094 0.386 0.000 1.077 310 V CA -0.747 61.676 62.300 0.205 0.000 0.910 310 V CB 1.728 33.266 31.823 -0.474 0.000 1.008 310 V HN 0.858 nan 8.190 nan 0.000 0.424 311 W N 6.816 128.201 121.300 0.142 0.000 2.358 311 W HA 0.693 5.353 4.660 -0.000 0.000 0.307 311 W C 0.093 176.666 176.519 0.089 0.000 1.203 311 W CA -0.243 57.161 57.345 0.098 0.000 1.279 311 W CB 1.142 30.517 29.460 -0.141 0.000 1.264 311 W HN 0.811 nan 8.180 nan 0.000 0.474 312 A N 9.407 132.092 122.820 -0.226 0.000 3.409 312 A HA 0.281 4.601 4.320 -0.000 0.000 0.282 312 A C -1.666 175.733 177.584 -0.309 0.000 1.064 312 A CA -0.768 51.097 52.037 -0.286 0.000 0.889 312 A CB 0.467 19.380 19.000 -0.146 0.000 1.251 312 A HN 0.473 nan 8.150 nan 0.000 0.538 313 P HA -0.142 nan 4.420 nan 0.000 0.225 313 P C 1.069 178.112 177.300 -0.429 0.000 1.148 313 P CA 2.009 64.599 63.100 -0.851 0.000 0.779 313 P CB 0.007 30.922 31.700 -1.308 0.000 0.780 314 T N -4.741 109.648 114.554 -0.275 0.000 3.044 314 T HA 0.487 4.837 4.350 -0.000 0.000 0.260 314 T C 0.932 175.625 174.700 -0.011 0.000 1.019 314 T CA -0.215 61.825 62.100 -0.099 0.000 0.921 314 T CB -0.270 68.550 68.868 -0.079 0.000 1.053 314 T HN 0.061 nan 8.240 nan 0.000 0.533 315 A N 1.473 124.297 122.820 0.006 0.000 2.462 315 A HA 0.381 4.701 4.320 -0.000 0.000 0.243 315 A C 1.211 178.877 177.584 0.137 0.000 1.076 315 A CA -0.391 51.646 52.037 -0.000 0.000 0.773 315 A CB 0.333 19.228 19.000 -0.176 0.000 1.010 315 A HN 0.493 nan 8.150 nan 0.000 0.493 316 Q N -0.045 119.792 119.800 0.061 0.000 2.302 316 Q HA 0.023 4.363 4.340 -0.000 0.000 0.202 316 Q C -0.157 175.941 176.000 0.162 0.000 0.936 316 Q CA 0.896 56.794 55.803 0.157 0.000 0.886 316 Q CB 0.222 29.011 28.738 0.085 0.000 0.986 316 Q HN 0.845 nan 8.270 nan 0.000 0.487 317 Q N -0.376 119.370 119.800 -0.089 0.000 2.391 317 Q HA 0.556 4.896 4.340 -0.000 0.000 0.279 317 Q C -1.710 173.914 176.000 -0.627 0.000 1.028 317 Q CA -0.557 55.091 55.803 -0.259 0.000 0.836 317 Q CB 3.218 31.905 28.738 -0.084 0.000 1.414 317 Q HN -0.129 nan 8.270 nan 0.000 0.397 318 V N 1.324 120.723 119.914 -0.859 0.000 2.711 318 V HA 0.385 4.505 4.120 -0.000 0.000 0.304 318 V C -1.075 174.849 176.094 -0.283 0.000 1.097 318 V CA -0.700 61.178 62.300 -0.705 0.000 0.906 318 V CB 2.072 33.144 31.823 -1.252 0.000 1.015 318 V HN 0.702 nan 8.190 nan 0.000 0.427 319 E N 3.240 123.376 120.200 -0.107 0.000 2.222 319 E HA 0.504 4.854 4.350 -0.000 0.000 0.267 319 E C -1.337 175.271 176.600 0.013 0.000 0.884 319 E CA -1.114 55.266 56.400 -0.033 0.000 0.764 319 E CB 3.187 32.853 29.700 -0.056 0.000 1.169 319 E HN 0.486 nan 8.360 nan 0.000 0.413 320 L N 3.485 124.674 121.223 -0.057 0.000 2.278 320 L HA 0.203 4.542 4.340 -0.000 0.000 0.287 320 L C -1.121 175.603 176.870 -0.243 0.000 1.072 320 L CA -0.307 54.447 54.840 -0.143 0.000 0.819 320 L CB 0.866 42.675 42.059 -0.416 0.000 1.176 320 L HN 0.247 nan 8.230 nan 0.000 0.435 321 V N 6.851 126.681 119.914 -0.140 0.000 2.350 321 V HA 0.404 4.524 4.120 -0.000 0.000 0.276 321 V C 0.250 176.265 176.094 -0.132 0.000 1.028 321 V CA -0.645 61.545 62.300 -0.183 0.000 0.860 321 V CB 1.154 32.939 31.823 -0.064 0.000 0.990 321 V HN 0.510 nan 8.190 nan 0.000 0.453 322 I N 5.259 125.667 120.570 -0.270 0.000 2.353 322 I HA 0.467 4.636 4.170 -0.000 0.000 0.293 322 I C -0.450 175.545 176.117 -0.204 0.000 0.992 322 I CA -0.494 60.739 61.300 -0.112 0.000 1.268 322 I CB 1.122 39.051 38.000 -0.118 0.000 1.387 322 I HN 0.507 nan 8.210 nan 0.000 0.478 323 Y N 2.849 123.197 120.300 0.081 0.000 2.524 323 Y HA 0.367 4.917 4.550 -0.000 0.000 0.344 323 Y C 0.908 176.855 175.900 0.079 0.000 1.012 323 Y CA -0.591 57.536 58.100 0.045 0.000 1.068 323 Y CB 1.899 40.339 38.460 -0.034 0.000 1.249 323 Y HN 0.617 nan 8.280 nan 0.000 0.468 324 S N 0.481 116.298 115.700 0.195 0.000 2.655 324 S HA 0.478 4.948 4.470 -0.000 0.000 0.265 324 S C 1.257 175.979 174.600 0.203 0.000 1.240 324 S CA -0.240 58.051 58.200 0.152 0.000 0.986 324 S CB 1.139 64.388 63.200 0.082 0.000 0.985 324 S HN 0.875 nan 8.310 nan 0.000 0.562 325 A N 0.432 123.369 122.820 0.195 0.000 1.978 325 A HA -0.091 4.229 4.320 -0.000 0.000 0.220 325 A C 1.485 179.091 177.584 0.036 0.000 1.170 325 A CA 1.633 53.809 52.037 0.232 0.000 0.636 325 A CB -0.918 18.186 19.000 0.173 0.000 0.810 325 A HN 0.852 nan 8.150 nan 0.000 0.448 326 D N -0.200 120.209 120.400 0.015 0.000 2.336 326 D HA 0.048 4.688 4.640 -0.000 0.000 0.229 326 D C -0.167 176.088 176.300 -0.076 0.000 1.061 326 D CA 0.291 54.273 54.000 -0.031 0.000 0.875 326 D CB 0.131 40.932 40.800 0.001 0.000 0.904 326 D HN 0.192 nan 8.370 nan 0.000 0.525 327 K N 0.474 120.797 120.400 -0.128 0.000 3.167 327 K HA -0.139 4.180 4.320 -0.000 0.000 0.272 327 K C -0.231 176.450 176.600 0.134 0.000 1.137 327 K CA 0.571 56.739 56.287 -0.198 0.000 0.800 327 K CB -1.634 30.602 32.500 -0.440 0.000 1.253 327 K HN 0.202 nan 8.250 nan 0.000 0.497 328 K N 0.352 120.848 120.400 0.161 0.000 2.138 328 K HA 0.410 4.730 4.320 -0.000 0.000 0.263 328 K C 0.401 177.046 176.600 0.074 0.000 0.965 328 K CA -0.889 55.481 56.287 0.139 0.000 0.868 328 K CB 1.683 34.213 32.500 0.050 0.000 1.083 328 K HN -0.096 nan 8.250 nan 0.000 0.443 329 V N 4.643 124.504 119.914 -0.087 0.000 2.529 329 V HA 0.023 4.143 4.120 -0.000 0.000 0.292 329 V C 1.587 177.539 176.094 -0.237 0.000 1.028 329 V CA 0.245 62.294 62.300 -0.419 0.000 1.074 329 V CB -0.065 31.529 31.823 -0.382 0.000 0.958 329 V HN 0.728 nan 8.190 nan 0.000 0.481 330 I N 1.700 122.120 120.570 -0.250 0.000 4.139 330 I HA 0.768 4.937 4.170 -0.000 0.000 0.335 330 I C 0.552 176.552 176.117 -0.194 0.000 1.327 330 I CA 0.131 61.341 61.300 -0.150 0.000 1.112 330 I CB 0.485 38.442 38.000 -0.073 0.000 1.058 330 I HN 0.575 nan 8.210 nan 0.000 0.396 331 A N 0.511 123.144 122.820 -0.312 0.000 2.586 331 A HA 0.642 4.962 4.320 -0.000 0.000 0.296 331 A C -1.032 176.204 177.584 -0.580 0.000 1.040 331 A CA -0.310 51.456 52.037 -0.452 0.000 0.701 331 A CB 1.200 19.890 19.000 -0.516 0.000 1.277 331 A HN 0.044 nan 8.150 nan 0.000 0.413 332 S N 1.294 116.623 115.700 -0.619 0.000 2.789 332 S HA 0.560 5.030 4.470 -0.000 0.000 0.286 332 S C -1.284 173.006 174.600 -0.516 0.000 1.153 332 S CA -0.498 57.413 58.200 -0.481 0.000 1.084 332 S CB 0.105 63.142 63.200 -0.272 0.000 1.036 332 S HN 0.646 nan 8.310 nan 0.000 0.484 333 H N 5.054 123.908 119.070 -0.360 0.000 2.519 333 H HA 0.358 4.913 4.556 -0.000 0.000 0.316 333 H C -2.539 172.675 175.328 -0.190 0.000 1.065 333 H CA -1.935 53.889 56.048 -0.372 0.000 1.264 333 H CB 1.206 30.356 29.762 -1.021 0.000 1.413 333 H HN 0.446 nan 8.280 nan 0.000 0.465 334 P HA 0.057 nan 4.420 nan 0.000 0.271 334 P C 0.116 177.586 177.300 0.284 0.000 1.226 334 P CA -0.031 63.158 63.100 0.148 0.000 0.765 334 P CB 0.852 32.645 31.700 0.154 0.000 0.835 335 M N 1.710 121.504 119.600 0.323 0.000 2.197 335 M HA 0.224 4.704 4.480 -0.000 0.000 0.305 335 M C 0.727 177.351 176.300 0.541 0.000 1.162 335 M CA 0.263 55.857 55.300 0.489 0.000 1.099 335 M CB 0.365 33.257 32.600 0.486 0.000 1.430 335 M HN 0.223 nan 8.290 nan 0.000 0.481 336 T N 1.533 116.331 114.554 0.406 0.000 2.749 336 T HA 0.319 4.669 4.350 -0.000 0.000 0.287 336 T C -0.246 174.432 174.700 -0.037 0.000 0.970 336 T CA -0.608 61.597 62.100 0.175 0.000 0.980 336 T CB 0.507 69.433 68.868 0.096 0.000 0.924 336 T HN 0.475 nan 8.240 nan 0.000 0.456 337 R N 2.552 122.789 120.500 -0.438 0.000 2.340 337 R HA 0.211 4.551 4.340 -0.000 0.000 0.300 337 R C -0.634 175.383 176.300 -0.471 0.000 1.069 337 R CA -0.517 55.007 56.100 -0.959 0.000 0.984 337 R CB 0.451 29.764 30.300 -1.646 0.000 1.003 337 R HN 0.568 nan 8.270 nan 0.000 0.459 338 D N 2.177 122.359 120.400 -0.363 0.000 2.317 338 D HA 0.032 4.671 4.640 -0.000 0.000 0.234 338 D C 1.052 177.260 176.300 -0.154 0.000 1.112 338 D CA -0.221 53.675 54.000 -0.175 0.000 0.840 338 D CB 1.434 42.186 40.800 -0.080 0.000 1.078 338 D HN 0.549 nan 8.370 nan 0.000 0.486 339 S N 3.109 118.748 115.700 -0.102 0.000 2.383 339 S HA -0.246 4.223 4.470 -0.000 0.000 0.229 339 S C 2.006 176.663 174.600 0.095 0.000 1.030 339 S CA 0.862 59.045 58.200 -0.028 0.000 1.002 339 S CB -0.380 62.808 63.200 -0.019 0.000 0.829 339 S HN 0.503 nan 8.310 nan 0.000 0.467 340 A N 2.006 124.875 122.820 0.083 0.000 1.897 340 A HA 0.038 4.358 4.320 -0.000 0.000 0.215 340 A C 2.523 180.274 177.584 0.278 0.000 1.181 340 A CA 1.854 53.975 52.037 0.140 0.000 0.620 340 A CB -0.930 18.114 19.000 0.074 0.000 0.821 340 A HN 0.830 nan 8.150 nan 0.000 0.443 341 S N -2.664 113.168 115.700 0.219 0.000 2.470 341 S HA 0.388 4.858 4.470 -0.000 0.000 0.222 341 S C 1.513 176.272 174.600 0.264 0.000 1.024 341 S CA 1.180 59.560 58.200 0.301 0.000 0.931 341 S CB -0.058 63.273 63.200 0.218 0.000 0.791 341 S HN 1.918 nan 8.310 nan 0.000 0.513 342 G N 1.130 109.892 108.800 -0.062 0.000 2.143 342 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.249 342 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.249 342 G C 0.195 174.984 174.900 -0.184 0.000 0.981 342 G CA 0.048 44.875 45.100 -0.455 0.000 0.665 342 G HN 1.236 nan 8.290 nan 0.000 0.528 343 A N -0.900 121.975 122.820 0.092 0.000 2.293 343 A HA 0.753 5.073 4.320 -0.000 0.000 0.302 343 A C -0.345 177.273 177.584 0.057 0.000 1.119 343 A CA -0.328 51.883 52.037 0.290 0.000 0.823 343 A CB 0.714 19.973 19.000 0.432 0.000 1.097 343 A HN 0.685 nan 8.150 nan 0.000 0.491 344 W N 0.467 121.817 121.300 0.082 0.000 2.632 344 W HA 0.594 5.254 4.660 -0.000 0.000 0.328 344 W C 0.263 176.845 176.519 0.105 0.000 1.044 344 W CA 0.060 57.444 57.345 0.064 0.000 1.225 344 W CB 2.045 31.523 29.460 0.029 0.000 1.396 344 W HN 0.904 nan 8.180 nan 0.000 0.499 345 S N 1.030 116.930 115.700 0.332 0.000 2.627 345 S HA 0.794 5.264 4.470 -0.000 0.000 0.283 345 S C -1.913 172.918 174.600 0.385 0.000 1.127 345 S CA -0.840 57.540 58.200 0.300 0.000 0.863 345 S CB 2.192 65.477 63.200 0.142 0.000 1.121 345 S HN 0.559 nan 8.310 nan 0.000 0.479 346 W N 1.135 122.552 121.300 0.194 0.000 3.405 346 W HA 0.476 5.136 4.660 -0.000 0.000 0.329 346 W C -1.530 175.092 176.519 0.172 0.000 1.142 346 W CA -0.165 57.265 57.345 0.142 0.000 1.235 346 W CB 1.595 31.109 29.460 0.091 0.000 1.341 346 W HN 0.948 nan 8.180 nan 0.000 0.481 347 Q N 3.917 123.343 119.800 -0.624 0.000 2.316 347 Q HA 0.718 5.058 4.340 -0.000 0.000 0.264 347 Q C -0.165 175.247 176.000 -0.980 0.000 0.987 347 Q CA -0.345 55.156 55.803 -0.504 0.000 0.852 347 Q CB 1.707 30.233 28.738 -0.353 0.000 1.287 347 Q HN 0.722 nan 8.270 nan 0.000 0.448 348 G N 1.324 109.867 108.800 -0.428 0.000 3.022 348 G HA2 0.677 4.637 3.960 -0.000 0.000 0.284 348 G HA3 0.677 4.637 3.960 -0.000 0.000 0.284 348 G C -0.794 174.077 174.900 -0.047 0.000 1.375 348 G CA -0.494 44.444 45.100 -0.270 0.000 0.902 348 G HN 0.687 nan 8.290 nan 0.000 0.538 349 G N -1.015 107.807 108.800 0.037 0.000 2.537 349 G HA2 0.415 4.375 3.960 -0.000 0.000 0.273 349 G HA3 0.415 4.375 3.960 -0.000 0.000 0.273 349 G C 1.233 176.160 174.900 0.045 0.000 1.189 349 G CA 0.760 45.875 45.100 0.026 0.000 0.881 349 G HN 1.260 nan 8.290 nan 0.000 0.535 350 S N -0.480 115.230 115.700 0.016 0.000 2.547 350 S HA -0.122 4.347 4.470 -0.000 0.000 0.235 350 S C 1.465 176.079 174.600 0.024 0.000 0.980 350 S CA 1.271 59.477 58.200 0.009 0.000 0.941 350 S CB -0.120 63.076 63.200 -0.006 0.000 0.763 350 S HN 0.741 nan 8.310 nan 0.000 0.532 351 D N 1.658 122.083 120.400 0.042 0.000 2.348 351 D HA -0.058 4.582 4.640 -0.000 0.000 0.216 351 D C 1.530 177.867 176.300 0.061 0.000 0.970 351 D CA 0.283 54.310 54.000 0.045 0.000 0.889 351 D CB -0.355 40.475 40.800 0.051 0.000 0.912 351 D HN 0.457 nan 8.370 nan 0.000 0.524 352 L N 0.109 121.386 121.223 0.091 0.000 2.610 352 L HA 0.027 4.367 4.340 -0.000 0.000 0.232 352 L C 1.411 178.321 176.870 0.066 0.000 1.149 352 L CA -0.111 54.802 54.840 0.122 0.000 0.872 352 L CB -0.311 41.894 42.059 0.244 0.000 0.992 352 L HN -0.072 nan 8.230 nan 0.000 0.447 353 K N 0.746 121.159 120.400 0.022 0.000 2.489 353 K HA 0.048 4.368 4.320 -0.000 0.000 0.278 353 K C 1.194 177.771 176.600 -0.039 0.000 1.000 353 K CA 0.914 57.192 56.287 -0.015 0.000 1.012 353 K CB 0.353 32.841 32.500 -0.020 0.000 0.903 353 K HN 0.195 nan 8.250 nan 0.000 0.485 354 G N 1.858 110.611 108.800 -0.078 0.000 2.212 354 G HA2 -0.339 3.620 3.960 -0.000 0.000 0.266 354 G HA3 -0.339 3.620 3.960 -0.000 0.000 0.266 354 G C 0.203 174.924 174.900 -0.298 0.000 0.978 354 G CA 0.324 45.321 45.100 -0.172 0.000 0.632 354 G HN 0.982 nan 8.290 nan 0.000 0.537 355 A N -0.254 122.484 122.820 -0.137 0.000 2.407 355 A HA 0.677 4.997 4.320 -0.000 0.000 0.248 355 A C 0.074 177.606 177.584 -0.086 0.000 1.082 355 A CA -0.032 51.952 52.037 -0.088 0.000 0.785 355 A CB 0.259 19.309 19.000 0.083 0.000 1.020 355 A HN 0.579 nan 8.150 nan 0.000 0.489 356 F N 0.761 120.825 119.950 0.189 0.000 2.379 356 F HA 0.555 5.082 4.527 -0.000 0.000 0.332 356 F C 0.253 176.275 175.800 0.369 0.000 1.096 356 F CA 0.395 58.514 58.000 0.198 0.000 1.105 356 F CB 1.188 40.177 39.000 -0.019 0.000 1.189 356 F HN 0.673 nan 8.300 nan 0.000 0.515 357 Y N -0.359 120.162 120.300 0.369 0.000 2.656 357 Y HA 0.830 5.380 4.550 -0.000 0.000 0.334 357 Y C -1.391 174.588 175.900 0.132 0.000 1.179 357 Y CA -1.674 56.569 58.100 0.239 0.000 1.050 357 Y CB 1.524 40.003 38.460 0.031 0.000 1.308 357 Y HN 0.555 nan 8.280 nan 0.000 0.456 358 R N 0.543 121.088 120.500 0.074 0.000 2.734 358 R HA 0.409 4.749 4.340 -0.000 0.000 0.271 358 R C -2.237 174.012 176.300 -0.085 0.000 1.021 358 R CA -1.215 54.814 56.100 -0.118 0.000 0.893 358 R CB 2.252 32.552 30.300 -0.001 0.000 1.244 358 R HN 0.719 nan 8.270 nan 0.000 0.464 359 Y N 0.211 120.600 120.300 0.149 0.000 2.328 359 Y HA 0.463 5.013 4.550 -0.000 0.000 0.337 359 Y C 0.306 176.246 175.900 0.066 0.000 1.008 359 Y CA -0.763 57.400 58.100 0.105 0.000 1.129 359 Y CB 1.923 40.452 38.460 0.116 0.000 1.185 359 Y HN 0.620 nan 8.280 nan 0.000 0.476 360 A N 5.941 128.861 122.820 0.167 0.000 2.310 360 A HA 0.598 4.918 4.320 -0.000 0.000 0.300 360 A C -0.297 177.308 177.584 0.035 0.000 1.269 360 A CA -0.633 51.462 52.037 0.095 0.000 0.909 360 A CB -0.230 18.790 19.000 0.034 0.000 1.144 360 A HN 0.627 nan 8.150 nan 0.000 0.540 361 M N 1.844 121.492 119.600 0.080 0.000 2.363 361 M HA 0.421 4.901 4.480 -0.000 0.000 0.343 361 M C -0.399 175.816 176.300 -0.143 0.000 1.165 361 M CA 0.002 55.292 55.300 -0.016 0.000 1.046 361 M CB 1.089 33.788 32.600 0.164 0.000 1.648 361 M HN 0.482 nan 8.290 nan 0.000 0.452 362 T N 2.002 116.446 114.554 -0.183 0.000 3.009 362 T HA 0.555 4.905 4.350 -0.000 0.000 0.346 362 T C -1.000 173.606 174.700 -0.157 0.000 1.092 362 T CA -0.518 61.472 62.100 -0.184 0.000 1.080 362 T CB 0.912 69.704 68.868 -0.126 0.000 1.037 362 T HN 0.575 nan 8.240 nan 0.000 0.487 363 V N 4.014 123.824 119.914 -0.174 0.000 2.932 363 V HA 0.610 4.730 4.120 -0.000 0.000 0.307 363 V C -1.626 174.429 176.094 -0.065 0.000 1.147 363 V CA -1.130 61.115 62.300 -0.090 0.000 0.951 363 V CB 2.042 33.831 31.823 -0.056 0.000 1.031 363 V HN 0.775 nan 8.190 nan 0.000 0.426 364 Y N 6.076 126.300 120.300 -0.126 0.000 2.442 364 Y HA 0.451 5.001 4.550 -0.000 0.000 0.330 364 Y C -0.169 175.670 175.900 -0.101 0.000 1.129 364 Y CA 0.206 58.238 58.100 -0.114 0.000 1.365 364 Y CB 0.416 38.802 38.460 -0.123 0.000 1.233 364 Y HN 0.818 nan 8.280 nan 0.000 0.529 365 H N 8.850 127.373 119.070 -0.912 0.000 2.638 365 H HA 0.302 4.857 4.556 -0.000 0.000 0.317 365 H C -2.182 172.427 175.328 -1.199 0.000 1.006 365 H CA -2.615 52.967 56.048 -0.777 0.000 1.222 365 H CB 2.049 31.606 29.762 -0.342 0.000 1.419 365 H HN 0.512 nan 8.280 nan 0.000 0.489 366 P HA -0.184 nan 4.420 nan 0.000 0.217 366 P C 1.549 178.478 177.300 -0.619 0.000 1.148 366 P CA 1.227 63.676 63.100 -1.084 0.000 0.828 366 P CB 0.367 30.907 31.700 -1.933 0.000 0.783 367 Q N -0.014 119.623 119.800 -0.272 0.000 2.084 367 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 367 Q C 1.776 177.743 176.000 -0.056 0.000 0.978 367 Q CA 2.176 58.002 55.803 0.039 0.000 0.844 367 Q CB -0.242 28.589 28.738 0.154 0.000 0.898 367 Q HN 0.293 nan 8.270 nan 0.000 0.426 368 S N -1.211 114.393 115.700 -0.160 0.000 2.524 368 S HA 0.182 4.652 4.470 -0.000 0.000 0.215 368 S C 0.196 174.737 174.600 -0.099 0.000 0.986 368 S CA -0.158 57.967 58.200 -0.124 0.000 0.911 368 S CB 0.203 63.313 63.200 -0.150 0.000 0.805 368 S HN 0.408 nan 8.310 nan 0.000 0.501 369 R N 0.559 120.958 120.500 -0.170 0.000 3.422 369 R HA -0.139 4.200 4.340 -0.000 0.000 0.267 369 R C -0.496 175.858 176.300 0.091 0.000 1.074 369 R CA 0.989 57.098 56.100 0.014 0.000 0.718 369 R CB -2.017 28.343 30.300 0.100 0.000 1.157 369 R HN 0.670 nan 8.270 nan 0.000 0.440 370 K N 0.073 120.434 120.400 -0.065 0.000 2.527 370 K HA 0.325 4.645 4.320 -0.000 0.000 0.260 370 K C -0.522 176.069 176.600 -0.015 0.000 0.937 370 K CA -0.732 55.563 56.287 0.014 0.000 0.826 370 K CB 2.124 34.603 32.500 -0.035 0.000 1.359 370 K HN -0.037 nan 8.250 nan 0.000 0.434 371 V N 4.698 124.633 119.914 0.036 0.000 2.364 371 V HA 0.069 4.188 4.120 -0.000 0.000 0.252 371 V C 0.175 176.188 176.094 -0.136 0.000 1.075 371 V CA -0.113 62.173 62.300 -0.023 0.000 1.033 371 V CB 0.161 31.963 31.823 -0.035 0.000 1.116 371 V HN 0.648 nan 8.190 nan 0.000 0.488 372 E N 4.196 124.252 120.200 -0.240 0.000 2.390 372 E HA 0.294 4.644 4.350 -0.000 0.000 0.261 372 E C -0.329 175.915 176.600 -0.592 0.000 1.076 372 E CA -0.154 55.980 56.400 -0.444 0.000 0.905 372 E CB 1.173 30.483 29.700 -0.650 0.000 0.984 372 E HN 0.620 nan 8.360 nan 0.000 0.427 373 Q N 1.633 121.105 119.800 -0.546 0.000 2.303 373 Q HA 0.415 4.755 4.340 -0.000 0.000 0.267 373 Q C -1.251 174.597 176.000 -0.254 0.000 1.011 373 Q CA -0.513 55.070 55.803 -0.367 0.000 0.740 373 Q CB 1.372 30.014 28.738 -0.161 0.000 1.250 373 Q HN 0.540 nan 8.270 nan 0.000 0.458 374 Y N -1.133 119.163 120.300 -0.007 0.000 2.662 374 Y HA 0.457 5.007 4.550 -0.000 0.000 0.334 374 Y C -0.992 174.917 175.900 0.015 0.000 1.185 374 Y CA -1.460 56.641 58.100 0.001 0.000 1.074 374 Y CB 1.306 39.766 38.460 -0.000 0.000 1.330 374 Y HN 0.257 nan 8.280 nan 0.000 0.458 375 E N 1.920 122.260 120.200 0.234 0.000 2.216 375 E HA 0.597 4.947 4.350 -0.000 0.000 0.279 375 E C -1.233 175.406 176.600 0.065 0.000 0.997 375 E CA -0.995 55.492 56.400 0.145 0.000 0.817 375 E CB 2.613 32.372 29.700 0.098 0.000 1.096 375 E HN 0.440 nan 8.360 nan 0.000 0.393 376 V N 1.869 121.839 119.914 0.093 0.000 2.876 376 V HA 0.267 4.387 4.120 -0.000 0.000 0.312 376 V C 0.324 176.462 176.094 0.073 0.000 1.085 376 V CA -1.076 61.257 62.300 0.054 0.000 0.945 376 V CB 1.987 33.858 31.823 0.081 0.000 1.017 376 V HN 0.867 nan 8.190 nan 0.000 0.428 377 T N -0.623 113.950 114.554 0.032 0.000 2.813 377 T HA 0.193 4.543 4.350 -0.000 0.000 0.297 377 T C -0.125 174.682 174.700 0.178 0.000 1.036 377 T CA -0.448 61.647 62.100 -0.010 0.000 1.044 377 T CB 0.702 69.579 68.868 0.015 0.000 0.993 377 T HN 0.672 nan 8.240 nan 0.000 0.535 378 D N 2.101 122.578 120.400 0.128 0.000 2.343 378 D HA 0.167 4.807 4.640 -0.000 0.000 0.255 378 D C -1.033 175.511 176.300 0.407 0.000 1.187 378 D CA -2.250 52.011 54.000 0.434 0.000 0.875 378 D CB 1.388 42.475 40.800 0.478 0.000 1.136 378 D HN 0.277 nan 8.370 nan 0.000 0.469 379 P HA -0.136 nan 4.420 nan 0.000 0.226 379 P C 0.655 178.148 177.300 0.323 0.000 1.153 379 P CA 0.807 64.105 63.100 0.330 0.000 0.777 379 P CB 0.064 31.914 31.700 0.249 0.000 0.794 380 Y N 0.054 120.501 120.300 0.246 0.000 2.532 380 Y HA 0.393 4.942 4.550 -0.000 0.000 0.283 380 Y C 1.375 177.224 175.900 -0.085 0.000 1.181 380 Y CA -0.701 57.476 58.100 0.128 0.000 1.256 380 Y CB -0.241 38.310 38.460 0.151 0.000 1.112 380 Y HN -0.087 nan 8.280 nan 0.000 0.521 381 A N -0.251 122.669 122.820 0.167 0.000 2.561 381 A HA -0.056 4.264 4.320 -0.000 0.000 0.234 381 A C 0.192 177.803 177.584 0.044 0.000 1.055 381 A CA 0.577 52.642 52.037 0.047 0.000 0.756 381 A CB 0.000 18.952 19.000 -0.080 0.000 0.986 381 A HN 0.739 nan 8.150 nan 0.000 0.505 382 H N 0.102 119.221 119.070 0.082 0.000 3.058 382 H HA 0.367 4.923 4.556 -0.000 0.000 0.266 382 H C 0.061 175.383 175.328 -0.010 0.000 1.135 382 H CA 0.522 56.581 56.048 0.019 0.000 1.174 382 H CB 0.779 30.557 29.762 0.027 0.000 1.581 382 H HN 0.593 nan 8.280 nan 0.000 0.553 383 S N 0.692 116.446 115.700 0.090 0.000 2.547 383 S HA 0.591 5.061 4.470 -0.000 0.000 0.270 383 S C -1.886 172.707 174.600 -0.011 0.000 1.150 383 S CA -0.633 57.590 58.200 0.038 0.000 0.850 383 S CB 1.162 64.392 63.200 0.049 0.000 1.118 383 S HN 0.177 nan 8.310 nan 0.000 0.461 384 L N 2.152 123.372 121.223 -0.006 0.000 2.479 384 L HA 0.630 4.970 4.340 -0.000 0.000 0.255 384 L C 0.099 177.027 176.870 0.095 0.000 1.026 384 L CA -0.927 53.894 54.840 -0.033 0.000 0.842 384 L CB 2.361 44.275 42.059 -0.243 0.000 1.444 384 L HN 0.766 nan 8.230 nan 0.000 0.409 385 S N -1.389 114.343 115.700 0.054 0.000 2.686 385 S HA 0.392 4.862 4.470 -0.000 0.000 0.270 385 S C -0.025 174.474 174.600 -0.169 0.000 1.194 385 S CA -0.620 57.529 58.200 -0.085 0.000 0.990 385 S CB 1.057 63.995 63.200 -0.438 0.000 1.029 385 S HN 0.540 nan 8.310 nan 0.000 0.560 386 T N 2.683 117.089 114.554 -0.247 0.000 2.905 386 T HA 0.116 4.466 4.350 -0.000 0.000 0.299 386 T C 0.876 175.234 174.700 -0.570 0.000 1.024 386 T CA 0.953 62.784 62.100 -0.449 0.000 1.151 386 T CB -0.834 67.642 68.868 -0.654 0.000 0.987 386 T HN 0.828 nan 8.240 nan 0.000 0.535 387 N N 1.188 119.595 118.700 -0.488 0.000 2.800 387 N HA -0.294 4.446 4.740 -0.000 0.000 0.250 387 N C 0.069 175.502 175.510 -0.128 0.000 1.078 387 N CA 0.515 53.394 53.050 -0.285 0.000 0.804 387 N CB -0.881 37.424 38.487 -0.303 0.000 1.135 387 N HN 0.829 nan 8.380 nan 0.000 0.565 388 S N -1.893 113.661 115.700 -0.243 0.000 3.561 388 S HA -0.222 4.248 4.470 -0.000 0.000 0.318 388 S C 0.789 175.203 174.600 -0.311 0.000 1.181 388 S CA 1.366 59.330 58.200 -0.394 0.000 0.916 388 S CB -1.309 61.407 63.200 -0.807 0.000 0.966 388 S HN 0.658 nan 8.310 nan 0.000 0.550 389 E N -0.697 119.398 120.200 -0.175 0.000 2.150 389 E HA -0.047 4.303 4.350 -0.000 0.000 0.193 389 E C -0.073 176.186 176.600 -0.569 0.000 0.985 389 E CA 1.034 57.272 56.400 -0.269 0.000 0.814 389 E CB 0.115 29.724 29.700 -0.151 0.000 0.752 389 E HN 0.765 nan 8.360 nan 0.000 0.466 390 Y N -0.330 119.800 120.300 -0.284 0.000 2.492 390 Y HA 0.221 4.771 4.550 -0.000 0.000 0.346 390 Y C 0.117 175.871 175.900 -0.243 0.000 0.997 390 Y CA -1.204 56.728 58.100 -0.281 0.000 1.025 390 Y CB 1.768 40.045 38.460 -0.305 0.000 1.263 390 Y HN -0.189 nan 8.280 nan 0.000 0.454 391 S N 1.504 117.051 115.700 -0.255 0.000 2.645 391 S HA 0.551 5.021 4.470 -0.000 0.000 0.266 391 S C -0.786 173.742 174.600 -0.120 0.000 1.258 391 S CA -0.945 57.029 58.200 -0.377 0.000 0.990 391 S CB 1.817 64.564 63.200 -0.755 0.000 0.967 391 S HN 0.679 nan 8.310 nan 0.000 0.556 392 Q N 0.114 119.953 119.800 0.065 0.000 2.345 392 Q HA 0.464 4.803 4.340 -0.000 0.000 0.275 392 Q C -1.809 174.353 176.000 0.271 0.000 1.063 392 Q CA -0.782 55.119 55.803 0.164 0.000 0.819 392 Q CB 1.890 30.582 28.738 -0.077 0.000 1.356 392 Q HN 0.604 nan 8.270 nan 0.000 0.418 393 V N 3.399 123.454 119.914 0.235 0.000 2.521 393 V HA 0.317 4.437 4.120 -0.000 0.000 0.286 393 V C -0.053 176.048 176.094 0.011 0.000 1.034 393 V CA 0.033 62.386 62.300 0.088 0.000 1.045 393 V CB 0.845 32.670 31.823 0.005 0.000 0.974 393 V HN 0.554 nan 8.190 nan 0.000 0.480 394 V N 4.073 123.998 119.914 0.018 0.000 3.087 394 V HA 0.556 4.676 4.120 -0.000 0.000 0.306 394 V C -1.581 174.513 176.094 -0.000 0.000 1.187 394 V CA -0.638 61.663 62.300 0.002 0.000 0.999 394 V CB 2.606 34.440 31.823 0.018 0.000 1.049 394 V HN 0.920 nan 8.190 nan 0.000 0.431 395 D N 4.346 124.730 120.400 -0.026 0.000 2.464 395 D HA 0.328 4.968 4.640 -0.000 0.000 0.243 395 D C 1.025 177.288 176.300 -0.061 0.000 1.104 395 D CA -0.260 53.719 54.000 -0.034 0.000 0.883 395 D CB 1.352 42.130 40.800 -0.037 0.000 1.050 395 D HN 0.538 nan 8.370 nan 0.000 0.524 396 L N 2.920 124.091 121.223 -0.087 0.000 2.349 396 L HA -0.161 4.178 4.340 -0.000 0.000 0.220 396 L C 1.350 178.133 176.870 -0.145 0.000 1.130 396 L CA 0.838 55.579 54.840 -0.164 0.000 0.791 396 L CB -0.279 41.621 42.059 -0.264 0.000 0.918 396 L HN 0.325 nan 8.230 nan 0.000 0.444 397 N N -1.072 117.578 118.700 -0.084 0.000 2.457 397 N HA -0.092 4.648 4.740 -0.000 0.000 0.180 397 N C 0.535 176.020 175.510 -0.041 0.000 1.050 397 N CA 0.035 53.057 53.050 -0.048 0.000 0.906 397 N CB -0.005 38.468 38.487 -0.024 0.000 0.968 397 N HN 0.182 nan 8.380 nan 0.000 0.445 398 D N 0.593 120.960 120.400 -0.054 0.000 2.531 398 D HA -0.064 4.576 4.640 -0.000 0.000 0.239 398 D C 0.946 177.217 176.300 -0.047 0.000 1.144 398 D CA 0.183 54.157 54.000 -0.045 0.000 0.869 398 D CB 0.676 41.447 40.800 -0.049 0.000 1.160 398 D HN 0.255 nan 8.370 nan 0.000 0.484 399 S N 3.025 118.711 115.700 -0.023 0.000 2.447 399 S HA -0.129 4.340 4.470 -0.000 0.000 0.233 399 S C 1.850 176.434 174.600 -0.027 0.000 1.006 399 S CA 0.689 58.882 58.200 -0.013 0.000 0.957 399 S CB -0.013 63.192 63.200 0.008 0.000 0.773 399 S HN 0.501 nan 8.310 nan 0.000 0.507 400 A N 1.350 124.151 122.820 -0.031 0.000 2.121 400 A HA 0.326 4.646 4.320 -0.000 0.000 0.218 400 A C 1.895 179.449 177.584 -0.049 0.000 1.154 400 A CA 0.684 52.703 52.037 -0.030 0.000 0.679 400 A CB -0.527 18.459 19.000 -0.023 0.000 0.795 400 A HN 0.586 nan 8.150 nan 0.000 0.458 401 L N -1.061 120.113 121.223 -0.080 0.000 2.700 401 L HA 0.202 4.541 4.340 -0.000 0.000 0.234 401 L C -0.195 176.551 176.870 -0.207 0.000 1.156 401 L CA 0.096 54.864 54.840 -0.119 0.000 0.946 401 L CB -0.029 41.954 42.059 -0.127 0.000 1.216 401 L HN 0.159 nan 8.230 nan 0.000 0.493 402 K N 1.203 121.499 120.400 -0.175 0.000 2.324 402 K HA 0.452 4.772 4.320 -0.000 0.000 0.253 402 K C -2.518 174.035 176.600 -0.078 0.000 0.932 402 K CA -1.787 54.356 56.287 -0.240 0.000 0.799 402 K CB 2.265 34.678 32.500 -0.146 0.000 1.154 402 K HN -0.249 nan 8.250 nan 0.000 0.425 403 P HA 0.046 nan 4.420 nan 0.000 0.274 403 P C -0.653 176.723 177.300 0.128 0.000 1.237 403 P CA -0.372 62.764 63.100 0.060 0.000 0.793 403 P CB 0.673 32.432 31.700 0.098 0.000 0.977 404 E N 0.813 121.068 120.200 0.092 0.000 2.558 404 E HA 0.202 4.552 4.350 -0.000 0.000 0.255 404 E C 1.369 178.039 176.600 0.116 0.000 0.968 404 E CA 1.772 58.225 56.400 0.088 0.000 0.939 404 E CB -0.980 28.754 29.700 0.057 0.000 0.921 404 E HN 0.764 nan 8.360 nan 0.000 0.477 405 G N 4.862 113.729 108.800 0.112 0.000 2.162 405 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.260 405 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.260 405 G C 0.856 175.830 174.900 0.125 0.000 0.976 405 G CA 0.360 45.515 45.100 0.092 0.000 0.655 405 G HN 0.701 nan 8.290 nan 0.000 0.533 406 W N 1.125 122.428 121.300 0.004 0.000 2.301 406 W HA -0.190 4.470 4.660 -0.000 0.000 0.325 406 W C 1.606 178.129 176.519 0.006 0.000 1.250 406 W CA 2.259 59.608 57.345 0.007 0.000 1.261 406 W CB -0.324 29.139 29.460 0.006 0.000 1.157 406 W HN 0.348 nan 8.180 nan 0.000 0.473 407 D N -0.201 120.225 120.400 0.044 0.000 2.228 407 D HA -0.139 4.501 4.640 -0.000 0.000 0.203 407 D C 2.063 178.273 176.300 -0.151 0.000 0.988 407 D CA 1.866 55.819 54.000 -0.079 0.000 0.864 407 D CB -0.942 39.886 40.800 0.047 0.000 0.928 407 D HN 0.324 nan 8.370 nan 0.000 0.469 408 G N -0.010 108.720 108.800 -0.116 0.000 3.042 408 G HA2 0.077 4.037 3.960 -0.000 0.000 0.212 408 G HA3 0.077 4.037 3.960 -0.000 0.000 0.212 408 G C 0.490 175.299 174.900 -0.151 0.000 1.166 408 G CA -0.386 44.651 45.100 -0.106 0.000 0.767 408 G HN 0.136 nan 8.290 nan 0.000 0.546 409 L N 3.345 124.413 121.223 -0.258 0.000 2.477 409 L HA 0.393 4.733 4.340 -0.000 0.000 0.272 409 L C 0.706 177.440 176.870 -0.227 0.000 1.157 409 L CA 0.037 54.712 54.840 -0.275 0.000 0.889 409 L CB 0.338 42.109 42.059 -0.480 0.000 1.158 409 L HN 0.117 nan 8.230 nan 0.000 0.473 410 T N 2.393 116.858 114.554 -0.149 0.000 2.950 410 T HA 0.570 4.919 4.350 -0.000 0.000 0.288 410 T C 0.133 174.777 174.700 -0.093 0.000 1.035 410 T CA -1.076 60.958 62.100 -0.109 0.000 1.028 410 T CB 0.979 69.799 68.868 -0.081 0.000 1.109 410 T HN 0.533 nan 8.240 nan 0.000 0.514 411 M N 2.901 122.463 119.600 -0.062 0.000 2.184 411 M HA 0.209 4.689 4.480 -0.000 0.000 0.351 411 M C -1.196 175.064 176.300 -0.067 0.000 1.395 411 M CA -1.952 53.322 55.300 -0.045 0.000 1.117 411 M CB 1.016 33.616 32.600 -0.000 0.000 1.708 411 M HN 0.575 nan 8.290 nan 0.000 0.468 412 P HA -0.090 nan 4.420 nan 0.000 0.221 412 P C -0.356 176.732 177.300 -0.353 0.000 1.150 412 P CA 1.460 64.441 63.100 -0.199 0.000 0.800 412 P CB 0.140 31.733 31.700 -0.178 0.000 0.787 413 H N -0.612 118.411 119.070 -0.077 0.000 2.529 413 H HA 0.587 5.143 4.556 -0.000 0.000 0.348 413 H C -0.129 175.201 175.328 0.002 0.000 1.079 413 H CA -0.719 55.306 56.048 -0.038 0.000 1.198 413 H CB 1.451 31.187 29.762 -0.043 0.000 1.521 413 H HN 0.018 nan 8.280 nan 0.000 0.514 414 A N 2.069 124.960 122.820 0.119 0.000 2.407 414 A HA 0.217 4.537 4.320 -0.000 0.000 0.248 414 A C 0.221 177.874 177.584 0.116 0.000 1.082 414 A CA -0.278 51.813 52.037 0.090 0.000 0.785 414 A CB 0.348 19.382 19.000 0.056 0.000 1.020 414 A HN 0.952 nan 8.150 nan 0.000 0.489 415 Q N 0.447 120.311 119.800 0.107 0.000 2.023 415 Q HA 0.113 4.452 4.340 -0.000 0.000 0.221 415 Q C 1.020 177.083 176.000 0.105 0.000 0.806 415 Q CA -0.153 55.714 55.803 0.106 0.000 1.052 415 Q CB 0.632 29.467 28.738 0.162 0.000 1.229 415 Q HN 0.879 nan 8.270 nan 0.000 0.440 416 K N 1.107 121.556 120.400 0.082 0.000 1.991 416 K HA -0.023 4.297 4.320 -0.000 0.000 0.207 416 K C 1.104 177.747 176.600 0.071 0.000 1.045 416 K CA 1.612 57.944 56.287 0.074 0.000 0.937 416 K CB 0.217 32.748 32.500 0.051 0.000 0.720 416 K HN 0.233 nan 8.250 nan 0.000 0.438 417 T N -1.741 112.845 114.554 0.053 0.000 2.912 417 T HA 0.233 4.582 4.350 -0.000 0.000 0.280 417 T C 0.779 175.505 174.700 0.043 0.000 0.989 417 T CA -0.703 61.426 62.100 0.048 0.000 0.995 417 T CB 1.449 70.338 68.868 0.034 0.000 1.077 417 T HN 0.083 nan 8.240 nan 0.000 0.531 418 K N 0.269 120.694 120.400 0.043 0.000 2.097 418 K HA -0.020 4.300 4.320 -0.000 0.000 0.206 418 K C 2.571 179.174 176.600 0.006 0.000 1.049 418 K CA 1.183 57.488 56.287 0.029 0.000 0.933 418 K CB -0.576 31.947 32.500 0.038 0.000 0.717 418 K HN 0.699 nan 8.250 nan 0.000 0.442 419 A N 2.022 124.849 122.820 0.013 0.000 1.902 419 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 419 A C 1.620 179.208 177.584 0.006 0.000 1.181 419 A CA 1.864 53.906 52.037 0.009 0.000 0.623 419 A CB -0.386 18.622 19.000 0.014 0.000 0.818 419 A HN 0.173 nan 8.150 nan 0.000 0.443 420 D N 0.150 120.559 120.400 0.014 0.000 2.084 420 D HA -0.129 4.511 4.640 -0.000 0.000 0.194 420 D C 1.980 178.272 176.300 -0.012 0.000 0.990 420 D CA 1.148 55.161 54.000 0.022 0.000 0.826 420 D CB -0.429 40.395 40.800 0.039 0.000 0.971 420 D HN 0.437 nan 8.370 nan 0.000 0.453 421 L N 0.728 121.919 121.223 -0.053 0.000 2.042 421 L HA -0.168 4.171 4.340 -0.000 0.000 0.210 421 L C 2.510 179.261 176.870 -0.198 0.000 1.076 421 L CA 1.103 55.840 54.840 -0.173 0.000 0.749 421 L CB -0.429 41.503 42.059 -0.213 0.000 0.893 421 L HN -0.017 nan 8.230 nan 0.000 0.432 422 A N 0.046 122.798 122.820 -0.114 0.000 2.024 422 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 422 A C 2.188 179.722 177.584 -0.082 0.000 1.164 422 A CA 1.579 53.559 52.037 -0.094 0.000 0.643 422 A CB -0.347 18.628 19.000 -0.041 0.000 0.806 422 A HN 0.351 nan 8.150 nan 0.000 0.451 423 K N -0.985 119.380 120.400 -0.058 0.000 2.504 423 K HA 0.105 4.425 4.320 -0.000 0.000 0.195 423 K C 0.742 177.293 176.600 -0.082 0.000 1.036 423 K CA -0.047 56.218 56.287 -0.036 0.000 0.984 423 K CB -0.215 32.294 32.500 0.015 0.000 0.788 423 K HN 0.598 nan 8.250 nan 0.000 0.488 424 M N 1.809 121.312 119.600 -0.161 0.000 2.284 424 M HA -0.063 4.417 4.480 -0.000 0.000 0.351 424 M C -0.936 175.248 176.300 -0.194 0.000 1.443 424 M CA 1.192 56.324 55.300 -0.280 0.000 1.031 424 M CB 0.392 32.667 32.600 -0.542 0.000 1.893 424 M HN -0.093 nan 8.290 nan 0.000 0.456 425 T N 7.125 121.603 114.554 -0.127 0.000 3.008 425 T HA 0.481 4.830 4.350 -0.000 0.000 0.328 425 T C -0.357 174.341 174.700 -0.002 0.000 1.020 425 T CA -0.522 61.545 62.100 -0.055 0.000 1.043 425 T CB 0.239 69.078 68.868 -0.048 0.000 1.010 425 T HN 0.551 nan 8.240 nan 0.000 0.466 426 I N 2.222 122.791 120.570 -0.002 0.000 2.532 426 I HA 0.367 4.537 4.170 -0.000 0.000 0.292 426 I C 0.170 176.260 176.117 -0.044 0.000 1.014 426 I CA -0.711 60.596 61.300 0.011 0.000 1.340 426 I CB 0.832 38.864 38.000 0.053 0.000 1.422 426 I HN 0.579 nan 8.210 nan 0.000 0.528 427 H N 4.433 123.434 119.070 -0.116 0.000 2.866 427 H HA 0.213 4.769 4.556 -0.000 0.000 0.287 427 H C -0.648 174.598 175.328 -0.136 0.000 1.106 427 H CA -0.501 55.474 56.048 -0.122 0.000 1.396 427 H CB 0.800 30.549 29.762 -0.022 0.000 1.469 427 H HN 0.523 nan 8.280 nan 0.000 0.500 428 E N 3.841 123.784 120.200 -0.428 0.000 2.217 428 E HA 0.223 4.573 4.350 -0.000 0.000 0.279 428 E C -0.697 175.805 176.600 -0.164 0.000 1.068 428 E CA 0.008 56.278 56.400 -0.216 0.000 0.882 428 E CB 0.433 30.041 29.700 -0.153 0.000 1.039 428 E HN 0.582 nan 8.360 nan 0.000 0.418 429 S N 3.227 118.895 115.700 -0.053 0.000 2.634 429 S HA 0.384 4.854 4.470 -0.000 0.000 0.296 429 S C -1.120 173.488 174.600 0.014 0.000 1.104 429 S CA -0.779 57.421 58.200 -0.000 0.000 0.920 429 S CB 1.440 64.673 63.200 0.055 0.000 1.111 429 S HN 0.626 nan 8.310 nan 0.000 0.493 430 H N 0.549 119.585 119.070 -0.056 0.000 2.637 430 H HA 0.489 5.044 4.556 -0.000 0.000 0.363 430 H C 0.833 176.079 175.328 -0.138 0.000 1.131 430 H CA -0.830 55.154 56.048 -0.106 0.000 1.183 430 H CB 0.414 30.170 29.762 -0.009 0.000 1.637 430 H HN 0.415 nan 8.280 nan 0.000 0.531 431 I N 3.077 123.225 120.570 -0.704 0.000 2.194 431 I HA -0.235 3.935 4.170 -0.000 0.000 0.246 431 I C 2.165 178.136 176.117 -0.244 0.000 1.093 431 I CA 1.400 62.323 61.300 -0.627 0.000 1.355 431 I CB -0.677 36.488 38.000 -1.391 0.000 1.046 431 I HN 0.725 nan 8.210 nan 0.000 0.413 432 R N 0.283 120.780 120.500 -0.005 0.000 2.075 432 R HA -0.100 4.240 4.340 -0.000 0.000 0.226 432 R C 1.878 178.416 176.300 0.396 0.000 1.114 432 R CA 0.972 57.240 56.100 0.280 0.000 0.972 432 R CB -0.203 30.352 30.300 0.425 0.000 0.869 432 R HN 0.308 nan 8.270 nan 0.000 0.437 433 D N 1.081 121.804 120.400 0.537 0.000 2.158 433 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 433 D C 1.894 178.384 176.300 0.318 0.000 0.995 433 D CA 1.060 55.297 54.000 0.395 0.000 0.846 433 D CB -0.104 40.897 40.800 0.335 0.000 0.941 433 D HN 0.165 nan 8.370 nan 0.000 0.456 434 L N 0.132 121.512 121.223 0.262 0.000 2.005 434 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 434 L C 2.089 179.109 176.870 0.249 0.000 1.072 434 L CA 1.597 56.585 54.840 0.246 0.000 0.744 434 L CB -0.187 41.926 42.059 0.091 0.000 0.895 434 L HN 0.088 nan 8.230 nan 0.000 0.433 435 S N -2.028 113.774 115.700 0.170 0.000 2.666 435 S HA 0.264 4.734 4.470 -0.000 0.000 0.239 435 S C 1.656 176.343 174.600 0.145 0.000 1.031 435 S CA 0.145 58.430 58.200 0.142 0.000 1.015 435 S CB 0.590 63.822 63.200 0.054 0.000 0.981 435 S HN 0.183 nan 8.310 nan 0.000 0.547 436 A N 0.858 123.786 122.820 0.180 0.000 2.024 436 A HA 0.040 4.360 4.320 -0.000 0.000 0.220 436 A C 1.478 179.037 177.584 -0.042 0.000 1.164 436 A CA 1.110 53.193 52.037 0.076 0.000 0.643 436 A CB -0.864 18.212 19.000 0.125 0.000 0.806 436 A HN 0.782 nan 8.150 nan 0.000 0.451 437 W N -0.901 120.426 121.300 0.045 0.000 3.103 437 W HA 0.265 4.925 4.660 -0.000 0.000 0.325 437 W C -0.033 176.498 176.519 0.019 0.000 1.170 437 W CA -0.486 56.864 57.345 0.008 0.000 1.712 437 W CB 0.513 29.946 29.460 -0.045 0.000 1.068 437 W HN 0.097 nan 8.180 nan 0.000 0.592 438 D N 1.139 121.682 120.400 0.238 0.000 2.359 438 D HA -0.014 4.625 4.640 -0.000 0.000 0.250 438 D C 1.367 177.725 176.300 0.097 0.000 1.264 438 D CA 0.468 54.569 54.000 0.169 0.000 0.911 438 D CB 0.964 41.856 40.800 0.153 0.000 1.056 438 D HN 0.009 nan 8.370 nan 0.000 0.499 439 Q N 1.593 121.445 119.800 0.086 0.000 2.437 439 Q HA -0.072 4.267 4.340 -0.000 0.000 0.210 439 Q C 1.563 177.585 176.000 0.036 0.000 0.972 439 Q CA 0.849 56.683 55.803 0.050 0.000 0.903 439 Q CB -0.003 28.764 28.738 0.048 0.000 0.967 439 Q HN 0.607 nan 8.270 nan 0.000 0.486 440 T N -3.688 110.889 114.554 0.040 0.000 3.107 440 T HA 0.174 4.524 4.350 -0.000 0.000 0.249 440 T C 0.777 175.487 174.700 0.017 0.000 1.096 440 T CA -0.188 61.927 62.100 0.025 0.000 1.012 440 T CB 0.193 69.075 68.868 0.023 0.000 0.977 440 T HN -0.166 nan 8.240 nan 0.000 0.527 441 V N 3.537 123.464 119.914 0.022 0.000 2.465 441 V HA 0.348 4.468 4.120 -0.000 0.000 0.279 441 V C -2.272 173.829 176.094 0.010 0.000 1.045 441 V CA -2.330 59.977 62.300 0.013 0.000 0.938 441 V CB 1.292 33.125 31.823 0.017 0.000 0.986 441 V HN 0.197 nan 8.190 nan 0.000 0.467 442 P HA -0.023 nan 4.420 nan 0.000 0.260 442 P C 0.696 177.998 177.300 0.003 0.000 1.172 442 P CA 0.495 63.598 63.100 0.005 0.000 0.760 442 P CB 0.598 32.301 31.700 0.005 0.000 0.773 443 A N 5.495 128.315 122.820 0.000 0.000 1.940 443 A HA -0.266 4.054 4.320 -0.000 0.000 0.221 443 A C 1.829 179.409 177.584 -0.007 0.000 1.190 443 A CA 2.049 54.082 52.037 -0.006 0.000 0.647 443 A CB -0.936 18.058 19.000 -0.009 0.000 0.821 443 A HN 0.670 nan 8.150 nan 0.000 0.457 444 E N 0.300 120.499 120.200 -0.002 0.000 2.478 444 E HA -0.063 4.286 4.350 -0.000 0.000 0.198 444 E C 1.365 177.966 176.600 0.002 0.000 1.046 444 E CA 0.940 57.340 56.400 -0.001 0.000 0.870 444 E CB -0.378 29.324 29.700 0.003 0.000 0.818 444 E HN 0.688 nan 8.360 nan 0.000 0.527 445 L N 0.243 121.467 121.223 0.003 0.000 2.693 445 L HA 0.275 4.615 4.340 -0.000 0.000 0.235 445 L C 0.861 177.731 176.870 0.001 0.000 1.127 445 L CA -0.415 54.428 54.840 0.005 0.000 0.914 445 L CB 0.142 42.207 42.059 0.009 0.000 1.193 445 L HN -0.172 nan 8.230 nan 0.000 0.502 446 R N 1.125 121.625 120.500 -0.000 0.000 2.484 446 R HA 0.254 4.594 4.340 -0.000 0.000 0.293 446 R C 1.132 177.435 176.300 0.005 0.000 1.023 446 R CA 0.774 56.877 56.100 0.004 0.000 1.037 446 R CB 0.185 30.481 30.300 -0.006 0.000 0.951 446 R HN 0.287 nan 8.270 nan 0.000 0.418 447 G N 1.932 110.741 108.800 0.014 0.000 2.143 447 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.248 447 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.248 447 G C -0.158 174.733 174.900 -0.014 0.000 0.991 447 G CA 0.022 45.137 45.100 0.024 0.000 0.689 447 G HN 0.427 nan 8.290 nan 0.000 0.522 448 K N -1.194 119.171 120.400 -0.058 0.000 2.281 448 K HA 0.587 4.907 4.320 -0.000 0.000 0.242 448 K C 0.847 177.383 176.600 -0.107 0.000 0.971 448 K CA -1.080 55.147 56.287 -0.101 0.000 0.834 448 K CB 0.815 33.298 32.500 -0.028 0.000 1.181 448 K HN -0.040 nan 8.250 nan 0.000 0.435 449 Y N 0.587 120.878 120.300 -0.016 0.000 2.165 449 Y HA -0.135 4.415 4.550 -0.000 0.000 0.286 449 Y C 2.030 177.888 175.900 -0.069 0.000 1.155 449 Y CA 1.228 59.280 58.100 -0.080 0.000 1.164 449 Y CB -0.669 37.769 38.460 -0.036 0.000 0.978 449 Y HN 0.357 nan 8.280 nan 0.000 0.513 450 L N -0.499 120.809 121.223 0.142 0.000 2.549 450 L HA -0.165 4.175 4.340 -0.000 0.000 0.230 450 L C 2.446 179.333 176.870 0.028 0.000 1.162 450 L CA 0.598 55.481 54.840 0.071 0.000 0.834 450 L CB -0.768 41.333 42.059 0.069 0.000 0.947 450 L HN 0.243 nan 8.230 nan 0.000 0.452 451 A N 0.104 122.932 122.820 0.013 0.000 1.972 451 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 451 A C 2.060 179.633 177.584 -0.018 0.000 1.169 451 A CA 1.043 53.076 52.037 -0.006 0.000 0.635 451 A CB -0.344 18.647 19.000 -0.015 0.000 0.810 451 A HN 0.299 nan 8.150 nan 0.000 0.446 452 L N 0.619 121.830 121.223 -0.020 0.000 2.450 452 L HA -0.095 4.244 4.340 -0.000 0.000 0.224 452 L C 2.431 179.286 176.870 -0.025 0.000 1.149 452 L CA 2.170 56.989 54.840 -0.034 0.000 0.816 452 L CB -1.723 40.312 42.059 -0.041 0.000 0.932 452 L HN 0.711 nan 8.230 nan 0.000 0.449 453 T N -3.974 110.573 114.554 -0.010 0.000 3.081 453 T HA 0.232 4.582 4.350 -0.000 0.000 0.250 453 T C 1.024 175.719 174.700 -0.007 0.000 1.100 453 T CA 0.277 62.374 62.100 -0.005 0.000 1.038 453 T CB 0.047 68.920 68.868 0.009 0.000 0.962 453 T HN 0.183 nan 8.240 nan 0.000 0.516 454 A N 1.947 124.759 122.820 -0.012 0.000 2.990 454 A HA 0.316 4.635 4.320 -0.000 0.000 0.282 454 A C 1.492 179.064 177.584 -0.020 0.000 1.688 454 A CA -0.587 51.443 52.037 -0.012 0.000 1.391 454 A CB -0.380 18.613 19.000 -0.011 0.000 1.112 454 A HN 0.556 nan 8.150 nan 0.000 0.588 455 Q N 0.396 120.185 119.800 -0.018 0.000 2.248 455 Q HA -0.182 4.158 4.340 -0.000 0.000 0.208 455 Q C 0.817 176.805 176.000 -0.021 0.000 0.984 455 Q CA 1.379 57.169 55.803 -0.022 0.000 0.875 455 Q CB 0.100 28.828 28.738 -0.016 0.000 0.910 455 Q HN 0.721 nan 8.270 nan 0.000 0.433 456 E N 0.603 120.794 120.200 -0.015 0.000 2.478 456 E HA 0.008 4.357 4.350 -0.000 0.000 0.194 456 E C 0.674 177.267 176.600 -0.011 0.000 1.045 456 E CA 0.176 56.569 56.400 -0.011 0.000 0.868 456 E CB 0.195 29.892 29.700 -0.006 0.000 0.885 456 E HN 0.262 nan 8.360 nan 0.000 0.505 457 S N 0.171 115.861 115.700 -0.017 0.000 2.593 457 S HA 0.142 4.612 4.470 -0.000 0.000 0.269 457 S C 0.989 175.575 174.600 -0.025 0.000 1.334 457 S CA -0.359 57.831 58.200 -0.017 0.000 1.015 457 S CB 0.944 64.129 63.200 -0.024 0.000 0.912 457 S HN 0.069 nan 8.310 nan 0.000 0.541 458 N N 0.617 119.313 118.700 -0.007 0.000 2.120 458 N HA -0.141 4.598 4.740 -0.000 0.000 0.188 458 N C 1.881 177.344 175.510 -0.077 0.000 1.024 458 N CA 1.252 54.306 53.050 0.007 0.000 0.852 458 N CB -0.260 38.266 38.487 0.065 0.000 1.003 458 N HN 0.568 nan 8.380 nan 0.000 0.424 459 M N 1.332 120.810 119.600 -0.204 0.000 2.067 459 M HA -0.126 4.354 4.480 -0.000 0.000 0.260 459 M C 1.910 178.002 176.300 -0.346 0.000 1.069 459 M CA 1.595 56.542 55.300 -0.589 0.000 1.117 459 M CB -0.447 31.863 32.600 -0.484 0.000 1.334 459 M HN -0.020 nan 8.290 nan 0.000 0.407 460 V N 1.138 120.943 119.914 -0.182 0.000 2.343 460 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 460 V C 2.546 178.584 176.094 -0.094 0.000 1.051 460 V CA 1.640 63.867 62.300 -0.121 0.000 1.036 460 V CB -0.964 30.813 31.823 -0.076 0.000 0.654 460 V HN 0.513 nan 8.190 nan 0.000 0.451 461 Q N -0.536 119.225 119.800 -0.066 0.000 2.135 461 Q HA -0.271 4.069 4.340 -0.000 0.000 0.204 461 Q C 2.211 178.189 176.000 -0.037 0.000 0.981 461 Q CA 2.220 57.999 55.803 -0.040 0.000 0.856 461 Q CB -0.423 28.306 28.738 -0.015 0.000 0.902 461 Q HN 0.819 nan 8.270 nan 0.000 0.425 462 H N 0.839 119.825 119.070 -0.138 0.000 2.293 462 H HA -0.032 4.523 4.556 -0.000 0.000 0.300 462 H C 2.070 177.312 175.328 -0.144 0.000 1.082 462 H CA 1.505 57.480 56.048 -0.122 0.000 1.308 462 H CB -0.202 29.474 29.762 -0.144 0.000 1.375 462 H HN 0.082 nan 8.280 nan 0.000 0.495 463 L N 0.239 121.366 121.223 -0.160 0.000 2.083 463 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 463 L C 2.655 179.417 176.870 -0.180 0.000 1.083 463 L CA 1.671 56.388 54.840 -0.205 0.000 0.752 463 L CB -0.485 41.486 42.059 -0.147 0.000 0.899 463 L HN 0.317 nan 8.230 nan 0.000 0.433 464 K N 0.242 120.563 120.400 -0.132 0.000 2.032 464 K HA -0.287 4.033 4.320 -0.000 0.000 0.209 464 K C 2.248 178.784 176.600 -0.107 0.000 1.048 464 K CA 1.834 58.062 56.287 -0.097 0.000 0.927 464 K CB -0.004 32.454 32.500 -0.071 0.000 0.712 464 K HN 0.083 nan 8.250 nan 0.000 0.441 465 Q N 0.951 120.669 119.800 -0.136 0.000 2.079 465 Q HA -0.072 4.268 4.340 -0.000 0.000 0.200 465 Q C 1.976 177.887 176.000 -0.148 0.000 0.974 465 Q CA 1.441 57.166 55.803 -0.130 0.000 0.840 465 Q CB -0.166 28.489 28.738 -0.138 0.000 0.898 465 Q HN 0.404 nan 8.270 nan 0.000 0.430 466 L N -0.305 120.777 121.223 -0.234 0.000 2.042 466 L HA -0.196 4.143 4.340 -0.000 0.000 0.210 466 L C 2.546 179.351 176.870 -0.107 0.000 1.076 466 L CA 1.496 56.219 54.840 -0.195 0.000 0.749 466 L CB -0.792 41.072 42.059 -0.325 0.000 0.893 466 L HN 0.297 nan 8.230 nan 0.000 0.432 467 S N -0.103 115.534 115.700 -0.106 0.000 2.356 467 S HA -0.203 4.267 4.470 -0.000 0.000 0.223 467 S C 2.144 176.735 174.600 -0.015 0.000 1.032 467 S CA 1.290 59.463 58.200 -0.045 0.000 1.005 467 S CB -0.157 63.023 63.200 -0.033 0.000 0.867 467 S HN 0.429 nan 8.310 nan 0.000 0.449 468 A N 0.325 123.126 122.820 -0.033 0.000 2.024 468 A HA -0.004 4.316 4.320 -0.000 0.000 0.220 468 A C 2.232 179.808 177.584 -0.014 0.000 1.164 468 A CA 1.952 53.976 52.037 -0.020 0.000 0.643 468 A CB -0.725 18.256 19.000 -0.032 0.000 0.806 468 A HN 0.565 nan 8.150 nan 0.000 0.451 469 S N -2.231 113.455 115.700 -0.023 0.000 2.575 469 S HA 0.391 4.861 4.470 -0.000 0.000 0.215 469 S C 1.249 175.840 174.600 -0.016 0.000 0.966 469 S CA 0.750 58.941 58.200 -0.016 0.000 0.911 469 S CB 0.405 63.598 63.200 -0.012 0.000 0.780 469 S HN 1.419 nan 8.310 nan 0.000 0.514 470 G N 0.464 109.259 108.800 -0.009 0.000 2.318 470 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.172 470 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.172 470 G C -0.022 174.861 174.900 -0.029 0.000 1.002 470 G CA -0.492 44.597 45.100 -0.017 0.000 0.697 470 G HN 0.299 nan 8.290 nan 0.000 0.483 471 V N 2.683 122.584 119.914 -0.021 0.000 2.508 471 V HA 0.455 4.575 4.120 -0.000 0.000 0.281 471 V C 1.730 177.781 176.094 -0.071 0.000 1.041 471 V CA 1.226 63.513 62.300 -0.022 0.000 1.016 471 V CB 1.130 32.934 31.823 -0.032 0.000 0.984 471 V HN 0.627 nan 8.190 nan 0.000 0.478 472 T N 0.900 115.382 114.554 -0.120 0.000 3.023 472 T HA 0.191 4.541 4.350 -0.000 0.000 0.249 472 T C 0.464 175.011 174.700 -0.255 0.000 1.050 472 T CA 0.266 62.123 62.100 -0.406 0.000 1.088 472 T CB 0.089 68.604 68.868 -0.588 0.000 0.946 472 T HN 0.629 nan 8.240 nan 0.000 0.480 473 H N -0.208 118.770 119.070 -0.153 0.000 2.768 473 H HA 0.665 5.220 4.556 -0.000 0.000 0.371 473 H C -1.021 174.314 175.328 0.013 0.000 1.151 473 H CA -1.287 54.731 56.048 -0.051 0.000 1.165 473 H CB 1.322 31.070 29.762 -0.023 0.000 1.722 473 H HN 0.072 nan 8.280 nan 0.000 0.543 474 I N 1.700 122.350 120.570 0.133 0.000 2.378 474 I HA 0.201 4.370 4.170 -0.000 0.000 0.291 474 I C 0.038 176.225 176.117 0.117 0.000 0.992 474 I CA -0.421 60.945 61.300 0.110 0.000 1.154 474 I CB 1.452 39.481 38.000 0.048 0.000 1.315 474 I HN 0.665 nan 8.210 nan 0.000 0.448 475 E N 7.094 127.364 120.200 0.117 0.000 2.133 475 E HA 0.493 4.842 4.350 -0.000 0.000 0.274 475 E C -1.395 175.235 176.600 0.049 0.000 0.930 475 E CA -0.609 55.873 56.400 0.137 0.000 0.770 475 E CB 1.324 31.188 29.700 0.273 0.000 1.104 475 E HN 0.477 nan 8.360 nan 0.000 0.403 476 L N 5.130 126.351 121.223 -0.004 0.000 2.275 476 L HA 0.288 4.628 4.340 -0.000 0.000 0.288 476 L C -0.022 176.773 176.870 -0.126 0.000 1.046 476 L CA -0.890 53.903 54.840 -0.078 0.000 0.805 476 L CB 0.721 42.718 42.059 -0.103 0.000 1.193 476 L HN 0.527 nan 8.230 nan 0.000 0.426 477 L N 5.670 126.787 121.223 -0.177 0.000 2.479 477 L HA 0.156 4.495 4.340 -0.000 0.000 0.270 477 L C -1.836 174.819 176.870 -0.359 0.000 1.236 477 L CA -0.850 53.821 54.840 -0.281 0.000 0.823 477 L CB -0.357 41.559 42.059 -0.238 0.000 1.098 477 L HN 0.380 nan 8.230 nan 0.000 0.500 478 P HA -0.156 nan 4.420 nan 0.000 0.247 478 P C 0.075 177.011 177.300 -0.608 0.000 1.103 478 P CA 0.775 63.415 63.100 -0.767 0.000 0.797 478 P CB -0.122 30.969 31.700 -1.014 0.000 0.710 479 V N 1.378 121.013 119.914 -0.465 0.000 3.380 479 V HA 0.251 4.371 4.120 -0.000 0.000 0.307 479 V C 0.467 176.489 176.094 -0.119 0.000 1.434 479 V CA -0.234 62.020 62.300 -0.076 0.000 1.075 479 V CB -1.303 30.666 31.823 0.243 0.000 0.954 479 V HN 0.176 nan 8.190 nan 0.000 0.444 480 F N 0.035 119.915 119.950 -0.117 0.000 2.352 480 F HA 0.700 5.227 4.527 -0.000 0.000 0.304 480 F C 0.441 176.271 175.800 0.050 0.000 1.215 480 F CA -1.421 56.570 58.000 -0.015 0.000 1.121 480 F CB -0.289 38.684 39.000 -0.044 0.000 1.329 480 F HN -0.024 nan 8.300 nan 0.000 0.528 481 D N 1.539 122.153 120.400 0.357 0.000 2.346 481 D HA 0.226 4.866 4.640 -0.000 0.000 0.267 481 D C -0.471 175.967 176.300 0.230 0.000 1.320 481 D CA -0.059 54.063 54.000 0.203 0.000 0.951 481 D CB -0.216 40.701 40.800 0.195 0.000 1.079 481 D HN 0.630 nan 8.370 nan 0.000 0.509 482 L N 1.125 122.359 121.223 0.019 0.000 2.439 482 L HA 0.730 5.069 4.340 -0.000 0.000 0.259 482 L C 1.053 178.004 176.870 0.134 0.000 1.129 482 L CA -0.689 54.171 54.840 0.034 0.000 0.803 482 L CB 1.093 43.065 42.059 -0.144 0.000 1.161 482 L HN 0.202 nan 8.230 nan 0.000 0.462 483 A N -0.270 122.599 122.820 0.082 0.000 2.085 483 A HA 0.074 4.393 4.320 -0.000 0.000 0.208 483 A C 1.712 179.275 177.584 -0.036 0.000 1.191 483 A CA 0.686 52.721 52.037 -0.003 0.000 0.799 483 A CB -0.651 18.157 19.000 -0.320 0.000 0.877 483 A HN 0.896 nan 8.150 nan 0.000 0.473 484 T N -1.663 112.881 114.554 -0.018 0.000 3.439 484 T HA 0.363 4.713 4.350 -0.000 0.000 0.251 484 T C -0.021 174.668 174.700 -0.019 0.000 1.108 484 T CA 0.122 62.218 62.100 -0.008 0.000 0.982 484 T CB -0.614 68.278 68.868 0.040 0.000 1.024 484 T HN 0.013 nan 8.240 nan 0.000 0.573 485 V N 1.946 121.836 119.914 -0.040 0.000 2.623 485 V HA 0.386 4.506 4.120 -0.000 0.000 0.304 485 V C -0.575 175.490 176.094 -0.048 0.000 1.054 485 V CA -1.378 60.886 62.300 -0.061 0.000 0.882 485 V CB 1.919 33.661 31.823 -0.134 0.000 1.002 485 V HN 0.373 nan 8.190 nan 0.000 0.424 486 N N 3.172 121.860 118.700 -0.020 0.000 2.470 486 N HA 0.152 4.891 4.740 -0.000 0.000 0.268 486 N C 0.795 176.282 175.510 -0.037 0.000 1.136 486 N CA 0.129 53.189 53.050 0.015 0.000 0.961 486 N CB 1.490 40.019 38.487 0.069 0.000 1.067 486 N HN 0.740 nan 8.380 nan 0.000 0.468 487 E N 2.381 122.512 120.200 -0.115 0.000 2.489 487 E HA 0.002 4.352 4.350 -0.000 0.000 0.193 487 E C -0.339 176.117 176.600 -0.240 0.000 1.057 487 E CA 0.218 56.487 56.400 -0.218 0.000 0.866 487 E CB 0.131 29.651 29.700 -0.299 0.000 0.916 487 E HN 0.514 nan 8.360 nan 0.000 0.500 488 F N 1.766 121.694 119.950 -0.037 0.000 2.405 488 F HA 0.006 4.532 4.527 -0.000 0.000 0.358 488 F C 1.796 177.574 175.800 -0.036 0.000 1.151 488 F CA -0.491 57.488 58.000 -0.034 0.000 1.161 488 F CB 0.876 39.858 39.000 -0.030 0.000 1.245 488 F HN -0.033 nan 8.300 nan 0.000 0.545 489 S N 0.469 116.235 115.700 0.109 0.000 2.407 489 S HA -0.302 4.168 4.470 -0.000 0.000 0.235 489 S C 1.666 176.296 174.600 0.050 0.000 1.036 489 S CA 1.721 59.951 58.200 0.051 0.000 1.013 489 S CB -0.406 62.810 63.200 0.026 0.000 0.820 489 S HN 0.747 nan 8.310 nan 0.000 0.476 490 D N 0.984 121.426 120.400 0.070 0.000 2.348 490 D HA -0.054 4.586 4.640 -0.000 0.000 0.216 490 D C 1.304 177.613 176.300 0.015 0.000 0.970 490 D CA 0.614 54.631 54.000 0.029 0.000 0.889 490 D CB -0.248 40.559 40.800 0.013 0.000 0.912 490 D HN 0.337 nan 8.370 nan 0.000 0.524 491 K N 0.277 120.702 120.400 0.042 0.000 2.358 491 K HA 0.223 4.543 4.320 -0.000 0.000 0.197 491 K C -0.011 176.595 176.600 0.010 0.000 1.025 491 K CA -0.163 56.138 56.287 0.022 0.000 1.104 491 K CB 1.584 34.114 32.500 0.051 0.000 0.855 491 K HN 0.114 nan 8.250 nan 0.000 0.531 492 V N 0.755 120.673 119.914 0.005 0.000 2.715 492 V HA 0.708 4.827 4.120 -0.000 0.000 0.310 492 V C -0.615 175.457 176.094 -0.036 0.000 1.054 492 V CA -1.272 61.019 62.300 -0.015 0.000 0.928 492 V CB 1.856 33.672 31.823 -0.012 0.000 1.007 492 V HN 0.131 nan 8.190 nan 0.000 0.437 493 A N 2.464 125.250 122.820 -0.057 0.000 2.381 493 A HA 0.739 5.058 4.320 -0.000 0.000 0.299 493 A C -1.069 176.460 177.584 -0.092 0.000 1.049 493 A CA -0.620 51.367 52.037 -0.083 0.000 0.715 493 A CB 1.085 20.014 19.000 -0.118 0.000 1.222 493 A HN 0.759 nan 8.150 nan 0.000 0.428 494 D N 1.516 121.862 120.400 -0.091 0.000 2.326 494 D HA 0.350 4.990 4.640 -0.000 0.000 0.248 494 D C 1.689 177.913 176.300 -0.127 0.000 1.001 494 D CA -0.312 53.632 54.000 -0.094 0.000 0.961 494 D CB 1.610 42.363 40.800 -0.078 0.000 1.183 494 D HN 0.559 nan 8.370 nan 0.000 0.502 495 I N -1.400 119.089 120.570 -0.134 0.000 2.567 495 I HA -0.261 3.909 4.170 -0.000 0.000 0.257 495 I C 1.229 177.262 176.117 -0.140 0.000 1.184 495 I CA 1.272 62.488 61.300 -0.141 0.000 1.451 495 I CB -0.209 37.732 38.000 -0.099 0.000 1.089 495 I HN 0.100 nan 8.210 nan 0.000 0.441 496 Q N 1.095 120.795 119.800 -0.166 0.000 2.472 496 Q HA 0.131 4.471 4.340 -0.000 0.000 0.208 496 Q C 0.323 176.270 176.000 -0.088 0.000 0.958 496 Q CA 0.586 56.302 55.803 -0.146 0.000 0.932 496 Q CB -0.016 28.613 28.738 -0.181 0.000 1.007 496 Q HN 0.688 nan 8.270 nan 0.000 0.508 497 Q N 0.250 120.000 119.800 -0.084 0.000 2.193 497 Q HA 0.346 4.685 4.340 -0.000 0.000 0.246 497 Q C -2.368 173.608 176.000 -0.040 0.000 0.959 497 Q CA -2.438 53.330 55.803 -0.058 0.000 0.904 497 Q CB 0.518 29.217 28.738 -0.064 0.000 1.238 497 Q HN -0.068 nan 8.270 nan 0.000 0.469 498 P HA -0.105 nan 4.420 nan 0.000 0.266 498 P C -0.462 176.865 177.300 0.046 0.000 1.195 498 P CA 0.373 63.496 63.100 0.038 0.000 0.768 498 P CB 0.328 32.052 31.700 0.040 0.000 0.838 499 F N 2.423 122.363 119.950 -0.017 0.000 2.269 499 F HA -0.228 4.299 4.527 -0.000 0.000 0.301 499 F C 2.240 178.043 175.800 0.006 0.000 1.082 499 F CA 2.034 60.026 58.000 -0.014 0.000 1.360 499 F CB -0.180 38.831 39.000 0.019 0.000 1.041 499 F HN 0.293 nan 8.300 nan 0.000 0.512 500 S N -0.037 115.791 115.700 0.213 0.000 2.399 500 S HA -0.266 4.204 4.470 -0.000 0.000 0.231 500 S C 2.214 176.842 174.600 0.046 0.000 1.022 500 S CA 1.138 59.420 58.200 0.138 0.000 0.983 500 S CB -0.708 62.551 63.200 0.098 0.000 0.803 500 S HN 0.524 nan 8.310 nan 0.000 0.480 501 R N 0.541 121.041 120.500 -0.000 0.000 2.075 501 R HA -0.001 4.339 4.340 -0.000 0.000 0.232 501 R C 2.412 178.663 176.300 -0.082 0.000 1.126 501 R CA 1.375 57.453 56.100 -0.036 0.000 0.963 501 R CB -0.514 29.759 30.300 -0.045 0.000 0.858 501 R HN 0.479 nan 8.270 nan 0.000 0.435 502 L N 0.800 121.921 121.223 -0.170 0.000 2.042 502 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 502 L C 2.103 178.868 176.870 -0.174 0.000 1.076 502 L CA 1.770 56.454 54.840 -0.260 0.000 0.749 502 L CB -0.649 41.068 42.059 -0.571 0.000 0.893 502 L HN 0.265 nan 8.230 nan 0.000 0.432 503 c N -0.252 118.291 118.600 -0.094 0.000 2.435 503 c HA -0.051 4.519 4.570 -0.000 0.000 0.279 503 c C 2.554 176.648 174.090 0.006 0.000 1.321 503 c CA 0.426 56.764 56.329 0.014 0.000 1.752 503 c CB -0.966 41.621 42.510 0.128 0.000 1.959 503 c HN 0.553 nan 8.230 nan 0.000 0.500 504 E N 0.804 121.001 120.200 -0.005 0.000 2.208 504 E HA -0.083 4.266 4.350 -0.000 0.000 0.193 504 E C 2.233 178.822 176.600 -0.020 0.000 0.988 504 E CA 1.278 57.674 56.400 -0.006 0.000 0.828 504 E CB -0.302 29.395 29.700 -0.004 0.000 0.763 504 E HN 0.698 nan 8.360 nan 0.000 0.478 505 V N -1.577 118.315 119.914 -0.036 0.000 3.644 505 V HA 0.247 4.367 4.120 -0.000 0.000 0.267 505 V C 0.648 176.719 176.094 -0.039 0.000 1.277 505 V CA 0.029 62.306 62.300 -0.037 0.000 1.096 505 V CB 0.109 31.906 31.823 -0.043 0.000 0.828 505 V HN -0.047 nan 8.190 nan 0.000 0.446 506 N N 1.379 120.052 118.700 -0.045 0.000 2.573 506 N HA 0.235 4.975 4.740 -0.000 0.000 0.262 506 N C 1.017 176.519 175.510 -0.013 0.000 1.029 506 N CA 0.717 53.743 53.050 -0.039 0.000 0.882 506 N CB 2.014 40.458 38.487 -0.072 0.000 1.204 506 N HN 0.448 nan 8.380 nan 0.000 0.519 507 S N 1.868 117.566 115.700 -0.003 0.000 2.447 507 S HA -0.082 4.388 4.470 -0.000 0.000 0.233 507 S C 1.817 176.432 174.600 0.025 0.000 1.006 507 S CA 0.805 59.013 58.200 0.012 0.000 0.957 507 S CB 0.006 63.210 63.200 0.006 0.000 0.773 507 S HN 0.486 nan 8.310 nan 0.000 0.507 508 A N 1.487 124.320 122.820 0.021 0.000 1.930 508 A HA 0.130 4.450 4.320 -0.000 0.000 0.217 508 A C 2.347 179.973 177.584 0.070 0.000 1.175 508 A CA 1.404 53.463 52.037 0.036 0.000 0.627 508 A CB -0.925 18.089 19.000 0.023 0.000 0.815 508 A HN 0.432 nan 8.150 nan 0.000 0.443 509 V N 0.077 120.030 119.914 0.064 0.000 2.358 509 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 509 V C 2.458 178.658 176.094 0.177 0.000 1.047 509 V CA 2.213 64.590 62.300 0.128 0.000 1.035 509 V CB -0.569 31.278 31.823 0.039 0.000 0.658 509 V HN 0.637 nan 8.190 nan 0.000 0.452 510 K N 0.661 121.132 120.400 0.119 0.000 2.280 510 K HA -0.140 4.179 4.320 -0.000 0.000 0.202 510 K C 1.819 178.476 176.600 0.095 0.000 1.047 510 K CA 1.564 57.921 56.287 0.116 0.000 0.942 510 K CB -0.062 32.482 32.500 0.074 0.000 0.739 510 K HN 0.642 nan 8.250 nan 0.000 0.457 511 S N -0.868 114.881 115.700 0.082 0.000 2.554 511 S HA 0.069 4.539 4.470 -0.000 0.000 0.226 511 S C 0.508 175.146 174.600 0.063 0.000 0.980 511 S CA -0.381 57.854 58.200 0.059 0.000 0.939 511 S CB 0.299 63.523 63.200 0.040 0.000 0.832 511 S HN 0.239 nan 8.310 nan 0.000 0.486 512 S N 1.908 117.673 115.700 0.107 0.000 2.694 512 S HA 0.296 4.765 4.470 -0.000 0.000 0.278 512 S C 1.037 175.656 174.600 0.032 0.000 1.152 512 S CA -0.230 58.034 58.200 0.107 0.000 1.010 512 S CB 0.529 63.879 63.200 0.250 0.000 1.104 512 S HN 0.495 nan 8.310 nan 0.000 0.547 513 E N -0.314 119.815 120.200 -0.118 0.000 2.478 513 E HA -0.050 4.300 4.350 -0.000 0.000 0.198 513 E C 0.438 176.836 176.600 -0.337 0.000 1.046 513 E CA 0.691 56.918 56.400 -0.290 0.000 0.870 513 E CB -0.590 28.833 29.700 -0.462 0.000 0.818 513 E HN 0.710 nan 8.360 nan 0.000 0.527 514 F N 0.648 120.675 119.950 0.129 0.000 2.727 514 F HA 0.398 4.925 4.527 -0.000 0.000 0.302 514 F C 2.262 178.183 175.800 0.201 0.000 1.097 514 F CA 0.041 58.173 58.000 0.221 0.000 1.330 514 F CB 0.335 39.502 39.000 0.277 0.000 1.084 514 F HN 0.080 nan 8.300 nan 0.000 0.578 515 A N 0.744 123.709 122.820 0.241 0.000 1.986 515 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 515 A C 2.574 180.200 177.584 0.071 0.000 1.171 515 A CA 1.877 54.019 52.037 0.175 0.000 0.640 515 A CB -1.439 17.616 19.000 0.093 0.000 0.811 515 A HN 0.432 nan 8.150 nan 0.000 0.451 516 G N -2.225 106.551 108.800 -0.040 0.000 2.501 516 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.220 516 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.220 516 G C 1.236 175.952 174.900 -0.306 0.000 1.114 516 G CA 1.094 46.079 45.100 -0.192 0.000 0.757 516 G HN 0.650 nan 8.290 nan 0.000 0.559 517 Y N -0.508 119.617 120.300 -0.292 0.000 2.523 517 Y HA 0.069 4.619 4.550 -0.000 0.000 0.279 517 Y C 2.775 178.467 175.900 -0.346 0.000 1.139 517 Y CA -0.343 57.417 58.100 -0.566 0.000 1.296 517 Y CB -0.154 37.458 38.460 -1.414 0.000 1.045 517 Y HN 0.182 nan 8.280 nan 0.000 0.538 518 c N -0.149 118.501 118.600 0.084 0.000 2.398 518 c HA -0.226 4.343 4.570 -0.000 0.000 0.276 518 c C 1.953 176.134 174.090 0.150 0.000 1.222 518 c CA 1.583 58.067 56.329 0.258 0.000 1.746 518 c CB -0.565 42.066 42.510 0.202 0.000 2.039 518 c HN 0.461 nan 8.230 nan 0.000 0.470 519 D N 0.496 120.932 120.400 0.059 0.000 2.395 519 D HA 0.105 4.745 4.640 -0.000 0.000 0.226 519 D C 0.818 177.129 176.300 0.017 0.000 1.146 519 D CA 0.059 54.082 54.000 0.037 0.000 0.830 519 D CB 0.019 40.827 40.800 0.013 0.000 0.958 519 D HN 0.597 nan 8.370 nan 0.000 0.501 520 S N -2.219 113.493 115.700 0.020 0.000 2.661 520 S HA 0.513 4.983 4.470 -0.000 0.000 0.265 520 S C 1.262 175.893 174.600 0.052 0.000 1.225 520 S CA -0.099 58.107 58.200 0.010 0.000 0.986 520 S CB 1.676 64.880 63.200 0.006 0.000 1.008 520 S HN 0.028 nan 8.310 nan 0.000 0.565 521 G N -0.053 108.775 108.800 0.047 0.000 3.575 521 G HA2 0.390 4.350 3.960 -0.000 0.000 0.273 521 G HA3 0.390 4.350 3.960 -0.000 0.000 0.273 521 G C -0.074 174.865 174.900 0.065 0.000 1.053 521 G CA -0.427 44.704 45.100 0.052 0.000 0.803 521 G HN 0.596 nan 8.290 nan 0.000 0.528 522 S N 0.334 116.087 115.700 0.089 0.000 2.646 522 S HA 0.570 5.039 4.470 -0.000 0.000 0.276 522 S C 0.621 175.294 174.600 0.122 0.000 1.222 522 S CA -0.438 57.816 58.200 0.091 0.000 1.014 522 S CB 1.465 64.719 63.200 0.089 0.000 0.991 522 S HN 0.442 nan 8.310 nan 0.000 0.533 523 T N -1.359 113.245 114.554 0.084 0.000 2.874 523 T HA 0.353 4.703 4.350 -0.000 0.000 0.281 523 T C 1.380 176.133 174.700 0.089 0.000 0.994 523 T CA -0.864 61.276 62.100 0.068 0.000 1.015 523 T CB 0.535 69.413 68.868 0.017 0.000 1.028 523 T HN 0.178 nan 8.240 nan 0.000 0.523 524 V N 0.873 120.807 119.914 0.033 0.000 2.332 524 V HA -0.146 3.973 4.120 -0.000 0.000 0.248 524 V C 2.811 178.858 176.094 -0.077 0.000 1.055 524 V CA 2.248 64.540 62.300 -0.014 0.000 1.038 524 V CB -1.126 30.567 31.823 -0.217 0.000 0.651 524 V HN 1.063 nan 8.190 nan 0.000 0.450 525 E N 0.227 120.396 120.200 -0.051 0.000 2.085 525 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 525 E C 2.210 178.828 176.600 0.029 0.000 0.994 525 E CA 1.719 58.131 56.400 0.019 0.000 0.801 525 E CB -0.061 29.667 29.700 0.047 0.000 0.743 525 E HN 0.735 nan 8.360 nan 0.000 0.453 526 E N -0.315 119.896 120.200 0.020 0.000 2.150 526 E HA -0.140 4.209 4.350 -0.000 0.000 0.193 526 E C 2.160 178.736 176.600 -0.041 0.000 0.985 526 E CA 1.054 57.468 56.400 0.023 0.000 0.814 526 E CB 0.191 29.911 29.700 0.034 0.000 0.752 526 E HN 0.154 nan 8.360 nan 0.000 0.466 527 V N 1.457 121.306 119.914 -0.109 0.000 2.358 527 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 527 V C 2.286 178.197 176.094 -0.305 0.000 1.047 527 V CA 1.324 63.466 62.300 -0.263 0.000 1.035 527 V CB -0.399 31.154 31.823 -0.449 0.000 0.658 527 V HN 0.251 nan 8.190 nan 0.000 0.452 528 L N -0.260 120.734 121.223 -0.382 0.000 2.042 528 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 528 L C 2.659 179.260 176.870 -0.449 0.000 1.076 528 L CA 1.998 56.452 54.840 -0.643 0.000 0.749 528 L CB -1.007 40.318 42.059 -1.222 0.000 0.893 528 L HN 0.350 nan 8.230 nan 0.000 0.432 529 T N -1.201 113.250 114.554 -0.173 0.000 2.684 529 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 529 T C 1.925 176.640 174.700 0.024 0.000 1.036 529 T CA 1.139 63.289 62.100 0.083 0.000 1.148 529 T CB -0.122 68.843 68.868 0.161 0.000 0.863 529 T HN 0.278 nan 8.240 nan 0.000 0.436 530 Q N 0.631 120.421 119.800 -0.016 0.000 2.167 530 Q HA 0.114 4.454 4.340 -0.000 0.000 0.202 530 Q C 2.356 178.355 176.000 -0.002 0.000 0.970 530 Q CA 0.860 56.666 55.803 0.005 0.000 0.855 530 Q CB -0.529 28.221 28.738 0.020 0.000 0.911 530 Q HN 0.512 nan 8.270 nan 0.000 0.438 531 L N 0.343 121.536 121.223 -0.049 0.000 2.465 531 L HA -0.129 4.211 4.340 -0.000 0.000 0.224 531 L C 2.136 178.999 176.870 -0.012 0.000 1.145 531 L CA 0.639 55.462 54.840 -0.029 0.000 0.834 531 L CB -0.197 41.816 42.059 -0.078 0.000 0.944 531 L HN 0.147 nan 8.230 nan 0.000 0.451 532 K N 0.091 120.488 120.400 -0.004 0.000 2.002 532 K HA -0.265 4.055 4.320 -0.000 0.000 0.209 532 K C 2.093 178.711 176.600 0.031 0.000 1.048 532 K CA 1.548 57.855 56.287 0.033 0.000 0.930 532 K CB -0.192 32.358 32.500 0.083 0.000 0.714 532 K HN 0.252 nan 8.250 nan 0.000 0.438 533 Q N 1.121 120.938 119.800 0.029 0.000 2.152 533 Q HA -0.216 4.124 4.340 -0.000 0.000 0.206 533 Q C 1.412 177.425 176.000 0.021 0.000 0.985 533 Q CA 1.692 57.510 55.803 0.025 0.000 0.863 533 Q CB -0.064 28.689 28.738 0.025 0.000 0.904 533 Q HN 0.325 nan 8.270 nan 0.000 0.422 534 N N 0.166 118.879 118.700 0.022 0.000 2.268 534 N HA -0.044 4.696 4.740 -0.000 0.000 0.204 534 N C -0.682 174.838 175.510 0.017 0.000 1.124 534 N CA -0.263 52.798 53.050 0.020 0.000 0.838 534 N CB 0.358 38.860 38.487 0.024 0.000 0.994 534 N HN 0.215 nan 8.380 nan 0.000 0.489 535 D N 1.067 121.476 120.400 0.014 0.000 2.308 535 D HA 0.084 4.723 4.640 -0.000 0.000 0.251 535 D C -0.631 175.657 176.300 -0.019 0.000 1.127 535 D CA 0.396 54.400 54.000 0.006 0.000 0.876 535 D CB 1.294 42.103 40.800 0.014 0.000 1.176 535 D HN 0.319 nan 8.370 nan 0.000 0.446 536 S N 1.504 117.176 115.700 -0.045 0.000 2.661 536 S HA 0.201 4.671 4.470 -0.000 0.000 0.268 536 S C 0.812 175.323 174.600 -0.149 0.000 1.162 536 S CA -0.672 57.479 58.200 -0.082 0.000 0.817 536 S CB 1.215 64.393 63.200 -0.036 0.000 1.141 536 S HN 0.499 nan 8.310 nan 0.000 0.477 537 K N 0.005 120.305 120.400 -0.168 0.000 2.209 537 K HA -0.061 4.258 4.320 -0.000 0.000 0.204 537 K C 0.483 177.112 176.600 0.047 0.000 1.048 537 K CA 1.832 58.024 56.287 -0.158 0.000 0.940 537 K CB -0.458 32.035 32.500 -0.013 0.000 0.729 537 K HN 0.515 nan 8.250 nan 0.000 0.451 538 D N 0.355 120.770 120.400 0.026 0.000 2.333 538 D HA -0.035 4.605 4.640 -0.000 0.000 0.208 538 D C -0.083 176.246 176.300 0.049 0.000 0.984 538 D CA 0.616 54.647 54.000 0.051 0.000 0.873 538 D CB 0.116 40.936 40.800 0.033 0.000 0.935 538 D HN 0.218 nan 8.370 nan 0.000 0.521 539 N N 0.566 119.285 118.700 0.030 0.000 2.725 539 N HA 0.100 4.840 4.740 -0.000 0.000 0.248 539 N C -2.783 172.749 175.510 0.037 0.000 1.402 539 N CA -1.348 51.726 53.050 0.040 0.000 0.766 539 N CB 1.341 39.845 38.487 0.029 0.000 1.223 539 N HN -0.220 nan 8.380 nan 0.000 0.515 540 P HA 0.096 nan 4.420 nan 0.000 0.225 540 P C 0.159 177.527 177.300 0.114 0.000 1.813 540 P CA -0.054 63.083 63.100 0.061 0.000 1.013 540 P CB -0.025 31.761 31.700 0.144 0.000 1.961 541 Q N -0.526 119.337 119.800 0.105 0.000 2.245 541 Q HA -0.033 4.307 4.340 -0.000 0.000 0.201 541 Q C 1.348 177.404 176.000 0.094 0.000 0.955 541 Q CA 0.815 56.720 55.803 0.170 0.000 0.870 541 Q CB -0.784 28.060 28.738 0.178 0.000 0.945 541 Q HN 0.062 nan 8.270 nan 0.000 0.461 542 V N 2.341 122.267 119.914 0.019 0.000 2.237 542 V HA -0.328 3.792 4.120 -0.000 0.000 0.245 542 V C 2.578 178.649 176.094 -0.038 0.000 1.046 542 V CA 2.397 64.633 62.300 -0.106 0.000 1.007 542 V CB -0.844 30.933 31.823 -0.077 0.000 0.638 542 V HN 0.570 nan 8.190 nan 0.000 0.445 543 Q N 1.495 121.386 119.800 0.152 0.000 2.167 543 Q HA -0.060 4.280 4.340 -0.000 0.000 0.202 543 Q C 1.959 178.004 176.000 0.076 0.000 0.970 543 Q CA 2.092 58.006 55.803 0.184 0.000 0.855 543 Q CB -0.861 27.971 28.738 0.157 0.000 0.911 543 Q HN 0.478 nan 8.270 nan 0.000 0.438 544 A N 0.994 123.872 122.820 0.097 0.000 1.877 544 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 544 A C 2.080 179.683 177.584 0.032 0.000 1.186 544 A CA 1.584 53.709 52.037 0.147 0.000 0.620 544 A CB -0.773 18.409 19.000 0.303 0.000 0.822 544 A HN 0.444 nan 8.150 nan 0.000 0.443 545 L N 0.262 121.324 121.223 -0.268 0.000 2.044 545 L HA -0.056 4.284 4.340 -0.000 0.000 0.205 545 L C 1.883 178.528 176.870 -0.375 0.000 1.075 545 L CA 2.574 56.971 54.840 -0.738 0.000 0.747 545 L CB -1.029 40.353 42.059 -1.127 0.000 0.903 545 L HN 0.423 nan 8.230 nan 0.000 0.435 546 N N -1.126 117.419 118.700 -0.259 0.000 2.205 546 N HA -0.183 4.556 4.740 -0.000 0.000 0.186 546 N C 1.595 177.055 175.510 -0.082 0.000 1.015 546 N CA 1.740 54.700 53.050 -0.151 0.000 0.862 546 N CB -0.159 38.324 38.487 -0.006 0.000 0.986 546 N HN 0.448 nan 8.380 nan 0.000 0.429 547 T N 0.224 114.744 114.554 -0.057 0.000 2.867 547 T HA -0.019 4.331 4.350 -0.000 0.000 0.268 547 T C 1.714 176.380 174.700 -0.057 0.000 1.057 547 T CA 0.786 62.857 62.100 -0.047 0.000 1.136 547 T CB -0.068 68.790 68.868 -0.016 0.000 0.874 547 T HN 0.206 nan 8.240 nan 0.000 0.466 548 L N 0.318 121.500 121.223 -0.069 0.000 2.131 548 L HA 0.019 4.359 4.340 -0.000 0.000 0.206 548 L C 2.614 179.423 176.870 -0.102 0.000 1.087 548 L CA 0.525 55.328 54.840 -0.062 0.000 0.767 548 L CB -0.660 41.376 42.059 -0.038 0.000 0.917 548 L HN 0.105 nan 8.230 nan 0.000 0.441 549 V N 0.717 120.541 119.914 -0.149 0.000 2.332 549 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 549 V C 2.830 178.861 176.094 -0.104 0.000 1.055 549 V CA 1.903 64.106 62.300 -0.162 0.000 1.038 549 V CB -0.943 30.765 31.823 -0.192 0.000 0.651 549 V HN 0.491 nan 8.190 nan 0.000 0.450 550 A N -0.805 121.964 122.820 -0.085 0.000 2.076 550 A HA -0.312 4.007 4.320 -0.000 0.000 0.220 550 A C 2.140 179.690 177.584 -0.057 0.000 1.160 550 A CA 1.978 53.975 52.037 -0.067 0.000 0.653 550 A CB -0.483 18.458 19.000 -0.098 0.000 0.801 550 A HN 0.689 nan 8.150 nan 0.000 0.455 551 Q N -0.946 118.818 119.800 -0.059 0.000 2.167 551 Q HA -0.088 4.252 4.340 -0.000 0.000 0.202 551 Q C 1.373 177.351 176.000 -0.036 0.000 0.970 551 Q CA 1.640 57.417 55.803 -0.043 0.000 0.855 551 Q CB -0.120 28.595 28.738 -0.038 0.000 0.911 551 Q HN 0.821 nan 8.270 nan 0.000 0.438 552 T N -1.989 112.537 114.554 -0.047 0.000 3.231 552 T HA 0.094 4.444 4.350 -0.000 0.000 0.292 552 T C -0.293 174.384 174.700 -0.039 0.000 1.001 552 T CA -0.340 61.736 62.100 -0.041 0.000 0.920 552 T CB 0.097 68.935 68.868 -0.051 0.000 1.140 552 T HN 0.141 nan 8.240 nan 0.000 0.525 553 D N 1.011 121.394 120.400 -0.029 0.000 2.511 553 D HA 0.347 4.987 4.640 -0.000 0.000 0.276 553 D C 0.607 176.916 176.300 0.015 0.000 1.220 553 D CA -1.001 52.992 54.000 -0.011 0.000 1.077 553 D CB 0.415 41.218 40.800 0.005 0.000 1.126 553 D HN -0.028 nan 8.370 nan 0.000 0.583 554 S N -1.975 113.749 115.700 0.039 0.000 2.634 554 S HA 0.057 4.526 4.470 -0.000 0.000 0.221 554 S C -0.413 174.238 174.600 0.085 0.000 0.952 554 S CA -0.353 57.864 58.200 0.027 0.000 0.930 554 S CB -0.751 62.458 63.200 0.015 0.000 0.780 554 S HN 0.425 nan 8.310 nan 0.000 0.498 555 Y N 2.922 123.239 120.300 0.028 0.000 2.330 555 Y HA 0.605 5.155 4.550 -0.000 0.000 0.336 555 Y C -0.056 175.870 175.900 0.043 0.000 1.036 555 Y CA -0.793 57.354 58.100 0.079 0.000 1.125 555 Y CB 0.619 39.115 38.460 0.061 0.000 1.194 555 Y HN 0.048 nan 8.280 nan 0.000 0.469 556 N N 4.299 122.819 118.700 -0.300 0.000 3.134 556 N HA -0.046 4.694 4.740 -0.000 0.000 0.235 556 N C -0.260 175.277 175.510 0.044 0.000 1.092 556 N CA -0.439 52.579 53.050 -0.054 0.000 1.038 556 N CB 0.428 38.937 38.487 0.036 0.000 1.684 556 N HN 0.715 nan 8.380 nan 0.000 0.551 557 W N 2.317 123.656 121.300 0.065 0.000 2.342 557 W HA 0.056 4.716 4.660 -0.000 0.000 0.297 557 W C 1.680 178.145 176.519 -0.091 0.000 1.213 557 W CA 2.287 59.687 57.345 0.091 0.000 1.251 557 W CB -0.682 28.961 29.460 0.305 0.000 1.136 557 W HN 0.909 nan 8.180 nan 0.000 0.526 558 G N -1.943 106.959 108.800 0.170 0.000 2.130 558 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.216 558 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.216 558 G C -0.143 174.678 174.900 -0.132 0.000 0.999 558 G CA -0.148 44.907 45.100 -0.076 0.000 0.686 558 G HN 0.260 nan 8.290 nan 0.000 0.515 559 Y N 1.967 122.408 120.300 0.235 0.000 3.040 559 Y HA 0.325 4.875 4.550 -0.000 0.000 0.392 559 Y C 0.543 176.630 175.900 0.311 0.000 1.105 559 Y CA -0.168 58.102 58.100 0.283 0.000 1.950 559 Y CB 0.184 38.826 38.460 0.304 0.000 2.014 559 Y HN 0.238 nan 8.280 nan 0.000 0.433 560 D N 0.523 121.110 120.400 0.311 0.000 2.517 560 D HA 0.160 4.800 4.640 -0.000 0.000 0.263 560 D C -2.917 173.487 176.300 0.174 0.000 1.233 560 D CA -1.415 52.735 54.000 0.251 0.000 0.849 560 D CB 1.540 42.438 40.800 0.163 0.000 1.261 560 D HN 0.072 nan 8.370 nan 0.000 0.516 561 P HA 0.002 nan 4.420 nan 0.000 0.260 561 P C -0.145 177.082 177.300 -0.122 0.000 1.185 561 P CA 0.299 63.352 63.100 -0.077 0.000 0.763 561 P CB 0.481 31.837 31.700 -0.573 0.000 0.776 562 F N 2.344 122.167 119.950 -0.211 0.000 2.480 562 F HA 0.138 4.665 4.527 -0.000 0.000 0.280 562 F C 0.717 176.164 175.800 -0.588 0.000 1.002 562 F CA 0.142 57.973 58.000 -0.280 0.000 1.325 562 F CB 0.679 39.642 39.000 -0.061 0.000 1.134 562 F HN 0.271 nan 8.300 nan 0.000 0.646 563 H N -0.563 118.514 119.070 0.012 0.000 2.934 563 H HA 0.151 4.707 4.556 -0.000 0.000 0.340 563 H C -0.616 174.707 175.328 -0.008 0.000 1.008 563 H CA -0.576 55.436 56.048 -0.060 0.000 1.317 563 H CB 1.276 30.998 29.762 -0.066 0.000 1.670 563 H HN 0.183 nan 8.280 nan 0.000 0.516 564 Y N 1.068 121.476 120.300 0.179 0.000 2.509 564 Y HA -0.067 4.483 4.550 -0.000 0.000 0.293 564 Y C 1.259 177.391 175.900 0.387 0.000 1.133 564 Y CA 0.756 58.924 58.100 0.112 0.000 1.283 564 Y CB 0.656 39.179 38.460 0.104 0.000 1.001 564 Y HN 0.364 nan 8.280 nan 0.000 0.555 565 T N -0.176 114.648 114.554 0.450 0.000 3.448 565 T HA 0.423 4.773 4.350 -0.000 0.000 0.271 565 T C -0.617 174.088 174.700 0.009 0.000 1.002 565 T CA -0.130 62.097 62.100 0.213 0.000 0.995 565 T CB -0.277 68.673 68.868 0.136 0.000 1.153 565 T HN -0.251 nan 8.240 nan 0.000 0.510 566 V N 1.750 121.770 119.914 0.176 0.000 2.808 566 V HA 0.444 4.563 4.120 -0.000 0.000 0.308 566 V C -2.725 173.458 176.094 0.149 0.000 1.099 566 V CA -2.538 59.787 62.300 0.042 0.000 0.920 566 V CB 2.690 34.532 31.823 0.033 0.000 1.014 566 V HN 0.072 nan 8.190 nan 0.000 0.425 567 P HA 0.157 nan 4.420 nan 0.000 0.269 567 P C -0.522 176.861 177.300 0.138 0.000 1.215 567 P CA -0.115 62.983 63.100 -0.002 0.000 0.780 567 P CB 0.543 32.080 31.700 -0.273 0.000 0.898 568 E N 0.940 121.270 120.200 0.216 0.000 2.392 568 E HA 0.135 4.485 4.350 -0.000 0.000 0.264 568 E C 1.340 177.976 176.600 0.059 0.000 1.024 568 E CA 0.520 56.960 56.400 0.066 0.000 0.903 568 E CB -0.030 29.625 29.700 -0.075 0.000 0.963 568 E HN 0.508 nan 8.360 nan 0.000 0.432 569 G N 2.327 111.082 108.800 -0.075 0.000 2.426 569 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.214 569 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.214 569 G C 1.346 176.145 174.900 -0.168 0.000 1.156 569 G CA 0.579 45.631 45.100 -0.080 0.000 0.802 569 G HN 0.632 nan 8.290 nan 0.000 0.534 570 S N 0.048 115.554 115.700 -0.323 0.000 2.469 570 S HA -0.095 4.375 4.470 -0.000 0.000 0.238 570 S C 1.825 176.210 174.600 -0.358 0.000 0.998 570 S CA 0.816 58.800 58.200 -0.361 0.000 0.957 570 S CB -0.505 62.426 63.200 -0.449 0.000 0.764 570 S HN 0.352 nan 8.310 nan 0.000 0.514 571 Y N 2.015 122.097 120.300 -0.364 0.000 2.490 571 Y HA 0.609 5.158 4.550 -0.000 0.000 0.281 571 Y C 1.240 176.770 175.900 -0.616 0.000 1.174 571 Y CA -0.960 56.722 58.100 -0.696 0.000 1.295 571 Y CB -0.832 36.790 38.460 -1.397 0.000 1.062 571 Y HN 0.420 nan 8.280 nan 0.000 0.522 572 A N -0.174 122.584 122.820 -0.103 0.000 2.306 572 A HA 0.448 4.767 4.320 -0.000 0.000 0.330 572 A C 1.390 178.991 177.584 0.029 0.000 1.146 572 A CA 0.101 52.193 52.037 0.092 0.000 0.827 572 A CB 0.412 19.523 19.000 0.184 0.000 1.178 572 A HN 0.323 nan 8.150 nan 0.000 0.490 573 T N -1.744 112.843 114.554 0.055 0.000 2.995 573 T HA -0.002 4.347 4.350 -0.000 0.000 0.269 573 T C 0.153 174.865 174.700 0.020 0.000 1.091 573 T CA 1.500 63.617 62.100 0.028 0.000 1.128 573 T CB -0.110 68.779 68.868 0.035 0.000 0.891 573 T HN 0.573 nan 8.240 nan 0.000 0.492 574 D N 1.634 122.053 120.400 0.032 0.000 2.402 574 D HA 0.294 4.934 4.640 -0.000 0.000 0.252 574 D C -2.185 174.124 176.300 0.015 0.000 1.294 574 D CA -2.338 51.674 54.000 0.020 0.000 0.948 574 D CB 2.217 43.036 40.800 0.032 0.000 1.202 574 D HN -0.013 nan 8.370 nan 0.000 0.561 575 P HA 0.020 nan 4.420 nan 0.000 0.245 575 P C 0.162 177.429 177.300 -0.055 0.000 1.212 575 P CA 0.133 63.199 63.100 -0.057 0.000 0.774 575 P CB 0.519 32.137 31.700 -0.136 0.000 0.999 576 E N 1.071 121.259 120.200 -0.020 0.000 2.105 576 E HA 0.446 4.795 4.350 -0.000 0.000 0.285 576 E C 0.839 177.502 176.600 0.105 0.000 1.055 576 E CA 0.397 56.808 56.400 0.017 0.000 0.843 576 E CB -0.339 29.375 29.700 0.022 0.000 1.067 576 E HN 0.307 nan 8.360 nan 0.000 0.398 577 G N 3.230 112.136 108.800 0.176 0.000 2.542 577 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.235 577 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.235 577 G C 0.958 175.911 174.900 0.087 0.000 1.286 577 G CA 0.210 45.429 45.100 0.198 0.000 0.904 577 G HN 0.882 nan 8.290 nan 0.000 0.577 578 T N -1.021 113.560 114.554 0.044 0.000 3.007 578 T HA 0.303 4.653 4.350 -0.000 0.000 0.270 578 T C 2.594 177.314 174.700 0.033 0.000 1.107 578 T CA 2.315 64.428 62.100 0.023 0.000 1.118 578 T CB -0.436 68.427 68.868 -0.008 0.000 0.889 578 T HN 2.112 nan 8.240 nan 0.000 0.506 579 A N 3.495 126.341 122.820 0.044 0.000 1.915 579 A HA -0.271 4.049 4.320 -0.000 0.000 0.220 579 A C 2.532 180.161 177.584 0.076 0.000 1.198 579 A CA 2.333 54.400 52.037 0.050 0.000 0.647 579 A CB -0.915 18.116 19.000 0.052 0.000 0.825 579 A HN 0.816 nan 8.150 nan 0.000 0.456 580 R N -0.174 120.385 120.500 0.099 0.000 2.159 580 R HA -0.070 4.270 4.340 -0.000 0.000 0.237 580 R C 1.824 178.215 176.300 0.152 0.000 1.131 580 R CA 1.753 57.953 56.100 0.166 0.000 0.982 580 R CB -0.790 29.621 30.300 0.184 0.000 0.868 580 R HN 0.505 nan 8.270 nan 0.000 0.453 581 I N 1.437 122.064 120.570 0.095 0.000 2.127 581 I HA -0.269 3.901 4.170 -0.000 0.000 0.241 581 I C 2.811 178.969 176.117 0.070 0.000 1.075 581 I CA 1.752 63.112 61.300 0.101 0.000 1.334 581 I CB -0.334 37.688 38.000 0.036 0.000 1.040 581 I HN 0.258 nan 8.210 nan 0.000 0.405 582 K N 0.988 121.392 120.400 0.006 0.000 2.097 582 K HA -0.174 4.146 4.320 -0.000 0.000 0.205 582 K C 1.974 178.576 176.600 0.002 0.000 1.050 582 K CA 1.299 57.557 56.287 -0.049 0.000 0.938 582 K CB 0.036 32.509 32.500 -0.044 0.000 0.718 582 K HN 0.324 nan 8.250 nan 0.000 0.442 583 E N -0.194 120.049 120.200 0.071 0.000 2.077 583 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 583 E C 1.863 178.497 176.600 0.056 0.000 0.989 583 E CA 1.232 57.696 56.400 0.107 0.000 0.800 583 E CB -0.220 29.605 29.700 0.209 0.000 0.746 583 E HN 0.323 nan 8.360 nan 0.000 0.452 584 F N 1.886 121.734 119.950 -0.170 0.000 2.102 584 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 584 F C 2.394 178.094 175.800 -0.167 0.000 1.105 584 F CA 1.499 59.244 58.000 -0.424 0.000 1.239 584 F CB 0.073 38.800 39.000 -0.456 0.000 0.991 584 F HN -0.208 nan 8.300 nan 0.000 0.474 585 R N -0.608 119.938 120.500 0.076 0.000 2.096 585 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 585 R C 2.099 178.391 176.300 -0.014 0.000 1.127 585 R CA 1.857 57.867 56.100 -0.151 0.000 0.968 585 R CB -0.839 28.992 30.300 -0.782 0.000 0.861 585 R HN 0.250 nan 8.270 nan 0.000 0.440 586 T N 1.259 115.797 114.554 -0.027 0.000 2.759 586 T HA -0.193 4.156 4.350 -0.000 0.000 0.269 586 T C 1.663 176.377 174.700 0.024 0.000 1.042 586 T CA 1.452 63.573 62.100 0.035 0.000 1.140 586 T CB -0.089 68.793 68.868 0.025 0.000 0.864 586 T HN 0.273 nan 8.240 nan 0.000 0.455 587 M N 0.565 120.127 119.600 -0.064 0.000 2.099 587 M HA -0.070 4.410 4.480 -0.000 0.000 0.262 587 M C 1.861 178.102 176.300 -0.098 0.000 1.067 587 M CA 1.586 56.821 55.300 -0.109 0.000 1.124 587 M CB -0.192 32.275 32.600 -0.223 0.000 1.353 587 M HN 0.092 nan 8.290 nan 0.000 0.410 588 I N 0.779 121.285 120.570 -0.107 0.000 2.163 588 I HA -0.329 3.841 4.170 -0.000 0.000 0.243 588 I C 2.493 178.679 176.117 0.115 0.000 1.085 588 I CA 1.753 63.069 61.300 0.026 0.000 1.347 588 I CB -1.647 36.505 38.000 0.253 0.000 1.044 588 I HN 0.576 nan 8.210 nan 0.000 0.408 589 Q N 0.748 120.689 119.800 0.235 0.000 2.096 589 Q HA -0.200 4.140 4.340 -0.000 0.000 0.204 589 Q C 2.313 178.353 176.000 0.066 0.000 0.982 589 Q CA 2.232 58.140 55.803 0.174 0.000 0.850 589 Q CB -0.008 28.895 28.738 0.274 0.000 0.901 589 Q HN 0.489 nan 8.270 nan 0.000 0.422 590 A N 0.717 123.565 122.820 0.046 0.000 1.902 590 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 590 A C 1.986 179.564 177.584 -0.010 0.000 1.181 590 A CA 1.400 53.443 52.037 0.011 0.000 0.623 590 A CB -0.659 18.341 19.000 0.000 0.000 0.818 590 A HN 0.491 nan 8.150 nan 0.000 0.443 591 I N -0.616 119.943 120.570 -0.019 0.000 2.179 591 I HA -0.274 3.895 4.170 -0.000 0.000 0.242 591 I C 2.530 178.632 176.117 -0.026 0.000 1.088 591 I CA 1.655 62.936 61.300 -0.031 0.000 1.357 591 I CB -0.294 37.681 38.000 -0.042 0.000 1.051 591 I HN 0.297 nan 8.210 nan 0.000 0.409 592 K N 0.173 120.559 120.400 -0.022 0.000 2.007 592 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 592 K C 2.224 178.801 176.600 -0.039 0.000 1.047 592 K CA 1.264 57.530 56.287 -0.034 0.000 0.937 592 K CB -0.167 32.304 32.500 -0.047 0.000 0.718 592 K HN 0.288 nan 8.250 nan 0.000 0.438 593 Q N 0.485 120.267 119.800 -0.030 0.000 2.062 593 Q HA -0.120 4.220 4.340 -0.000 0.000 0.196 593 Q C 1.411 177.395 176.000 -0.027 0.000 0.967 593 Q CA 1.438 57.222 55.803 -0.030 0.000 0.832 593 Q CB 0.344 29.072 28.738 -0.016 0.000 0.899 593 Q HN 0.236 nan 8.270 nan 0.000 0.442 594 D N -0.356 120.032 120.400 -0.020 0.000 2.216 594 D HA -0.008 4.632 4.640 -0.000 0.000 0.208 594 D C 1.612 177.895 176.300 -0.029 0.000 0.960 594 D CA 0.714 54.701 54.000 -0.022 0.000 0.861 594 D CB 0.321 41.111 40.800 -0.016 0.000 0.985 594 D HN 0.236 nan 8.370 nan 0.000 0.493 595 L N -0.139 121.066 121.223 -0.030 0.000 2.529 595 L HA 0.209 4.549 4.340 -0.000 0.000 0.223 595 L C 1.220 178.077 176.870 -0.022 0.000 1.113 595 L CA 0.315 55.134 54.840 -0.035 0.000 0.861 595 L CB 0.051 42.085 42.059 -0.042 0.000 1.012 595 L HN 0.061 nan 8.230 nan 0.000 0.461 596 G N 1.050 109.838 108.800 -0.021 0.000 2.221 596 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.265 596 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.265 596 G C 0.018 174.960 174.900 0.070 0.000 1.041 596 G CA 0.307 45.400 45.100 -0.012 0.000 0.807 596 G HN 0.280 nan 8.290 nan 0.000 0.502 597 M N -0.493 119.128 119.600 0.035 0.000 2.535 597 M HA 0.393 4.873 4.480 -0.000 0.000 0.314 597 M C 0.016 176.275 176.300 -0.069 0.000 1.153 597 M CA -1.031 54.281 55.300 0.018 0.000 0.924 597 M CB 1.587 34.168 32.600 -0.031 0.000 1.710 597 M HN 0.053 nan 8.290 nan 0.000 0.451 598 N N 0.498 119.047 118.700 -0.253 0.000 2.381 598 N HA 0.477 5.217 4.740 -0.000 0.000 0.254 598 N C -1.173 174.246 175.510 -0.152 0.000 1.264 598 N CA -0.213 52.657 53.050 -0.300 0.000 0.942 598 N CB 0.843 38.911 38.487 -0.697 0.000 1.190 598 N HN 0.319 nan 8.380 nan 0.000 0.495 599 V N 1.405 121.299 119.914 -0.033 0.000 2.540 599 V HA 0.503 4.623 4.120 -0.000 0.000 0.302 599 V C -0.061 176.070 176.094 0.062 0.000 1.035 599 V CA -0.624 61.690 62.300 0.023 0.000 0.873 599 V CB 1.355 33.178 31.823 0.001 0.000 0.992 599 V HN 0.440 nan 8.190 nan 0.000 0.428 600 I N 4.551 125.175 120.570 0.090 0.000 2.474 600 I HA 0.522 4.691 4.170 -0.000 0.000 0.294 600 I C -0.320 175.775 176.117 -0.037 0.000 1.005 600 I CA -0.430 60.913 61.300 0.073 0.000 1.113 600 I CB 2.051 40.230 38.000 0.298 0.000 1.289 600 I HN 0.421 nan 8.210 nan 0.000 0.436 601 M N 4.006 123.486 119.600 -0.199 0.000 2.364 601 M HA 0.331 4.811 4.480 -0.000 0.000 0.334 601 M C -1.257 174.962 176.300 -0.136 0.000 1.107 601 M CA -0.724 54.467 55.300 -0.183 0.000 0.988 601 M CB 1.740 34.171 32.600 -0.281 0.000 1.673 601 M HN 0.387 nan 8.290 nan 0.000 0.441 602 D N 2.291 122.631 120.400 -0.100 0.000 2.312 602 D HA 0.394 5.034 4.640 -0.000 0.000 0.252 602 D C -0.813 175.455 176.300 -0.054 0.000 1.150 602 D CA 0.074 54.031 54.000 -0.072 0.000 0.870 602 D CB 1.047 41.831 40.800 -0.026 0.000 1.153 602 D HN 0.304 nan 8.370 nan 0.000 0.457 603 V N 0.250 120.043 119.914 -0.201 0.000 2.769 603 V HA 0.684 4.804 4.120 -0.000 0.000 0.312 603 V C -0.201 175.686 176.094 -0.345 0.000 1.061 603 V CA -0.888 61.156 62.300 -0.426 0.000 0.931 603 V CB 2.100 33.523 31.823 -0.667 0.000 1.010 603 V HN 0.187 nan 8.190 nan 0.000 0.433 604 V N 4.222 123.814 119.914 -0.536 0.000 2.361 604 V HA 0.289 4.409 4.120 -0.000 0.000 0.252 604 V C -0.215 175.743 176.094 -0.227 0.000 0.986 604 V CA -0.057 62.111 62.300 -0.220 0.000 1.033 604 V CB -0.328 31.479 31.823 -0.026 0.000 1.282 604 V HN 0.958 nan 8.190 nan 0.000 0.514 605 Y N 1.128 121.459 120.300 0.052 0.000 2.490 605 Y HA 0.005 4.555 4.550 -0.000 0.000 0.281 605 Y C 2.341 178.437 175.900 0.327 0.000 1.174 605 Y CA 0.392 58.543 58.100 0.085 0.000 1.295 605 Y CB -0.102 38.342 38.460 -0.028 0.000 1.062 605 Y HN 0.634 nan 8.280 nan 0.000 0.522 606 N N 0.603 119.555 118.700 0.421 0.000 2.512 606 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 606 N C -0.103 175.549 175.510 0.237 0.000 1.073 606 N CA 0.944 54.158 53.050 0.275 0.000 0.911 606 N CB -0.323 38.323 38.487 0.266 0.000 0.964 606 N HN 0.526 nan 8.380 nan 0.000 0.447 607 H N -2.423 116.759 119.070 0.186 0.000 2.967 607 H HA 0.465 5.020 4.556 -0.000 0.000 0.318 607 H C -1.059 174.378 175.328 0.182 0.000 1.375 607 H CA -0.842 55.275 56.048 0.115 0.000 1.132 607 H CB 0.834 30.611 29.762 0.025 0.000 1.848 607 H HN 0.007 nan 8.280 nan 0.000 0.524 608 T N -1.681 113.012 114.554 0.232 0.000 2.942 608 T HA 0.237 4.587 4.350 -0.000 0.000 0.289 608 T C 0.630 175.439 174.700 0.181 0.000 1.044 608 T CA -0.785 61.388 62.100 0.122 0.000 1.023 608 T CB 1.831 70.747 68.868 0.079 0.000 1.123 608 T HN 0.827 nan 8.240 nan 0.000 0.512 609 N N 0.352 119.083 118.700 0.050 0.000 2.309 609 N HA 0.049 4.789 4.740 -0.000 0.000 0.182 609 N C 0.424 175.926 175.510 -0.014 0.000 1.018 609 N CA 0.785 53.852 53.050 0.029 0.000 0.876 609 N CB 0.005 38.431 38.487 -0.102 0.000 0.972 609 N HN 0.889 nan 8.380 nan 0.000 0.434 610 A N -0.868 121.935 122.820 -0.029 0.000 2.586 610 A HA 0.722 5.042 4.320 -0.000 0.000 0.290 610 A C -1.562 176.027 177.584 0.008 0.000 1.086 610 A CA -0.168 51.854 52.037 -0.026 0.000 0.665 610 A CB 1.000 19.954 19.000 -0.077 0.000 1.279 610 A HN 0.240 nan 8.150 nan 0.000 0.423 611 A N -0.896 121.943 122.820 0.032 0.000 2.507 611 A HA 1.105 5.424 4.320 -0.000 0.000 0.284 611 A C 0.633 178.265 177.584 0.080 0.000 1.281 611 A CA 0.052 52.144 52.037 0.092 0.000 0.744 611 A CB 0.507 19.590 19.000 0.139 0.000 1.332 611 A HN 3.002 nan 8.150 nan 0.000 0.454 612 G N -1.564 107.333 108.800 0.162 0.000 2.746 612 G HA2 0.005 3.965 3.960 -0.000 0.000 0.685 612 G HA3 0.005 3.965 3.960 -0.000 0.000 0.685 612 G C -2.321 172.501 174.900 -0.129 0.000 1.350 612 G CA -0.029 45.062 45.100 -0.015 0.000 0.837 612 G HN 0.868 nan 8.290 nan 0.000 0.564 613 P HA 0.109 nan 4.420 nan 0.000 0.257 613 P C 1.127 178.387 177.300 -0.066 0.000 1.281 613 P CA 1.638 64.650 63.100 -0.147 0.000 0.826 613 P CB 0.310 31.907 31.700 -0.172 0.000 1.237 614 T N -6.068 108.428 114.554 -0.097 0.000 2.989 614 T HA 0.077 4.426 4.350 -0.000 0.000 0.250 614 T C 0.690 175.345 174.700 -0.075 0.000 0.981 614 T CA 0.013 62.076 62.100 -0.062 0.000 0.980 614 T CB -0.665 68.176 68.868 -0.045 0.000 1.133 614 T HN -0.129 nan 8.240 nan 0.000 0.489 615 D N 1.966 122.316 120.400 -0.082 0.000 2.488 615 D HA 0.029 4.668 4.640 -0.000 0.000 0.238 615 D C 1.326 177.561 176.300 -0.107 0.000 1.138 615 D CA -0.059 53.888 54.000 -0.088 0.000 0.873 615 D CB 1.089 41.836 40.800 -0.087 0.000 1.183 615 D HN 0.257 nan 8.370 nan 0.000 0.458 616 R N 1.883 122.320 120.500 -0.105 0.000 2.103 616 R HA -0.181 4.159 4.340 -0.000 0.000 0.242 616 R C 1.716 177.938 176.300 -0.130 0.000 1.142 616 R CA 2.078 58.125 56.100 -0.089 0.000 0.960 616 R CB -0.304 29.951 30.300 -0.075 0.000 0.858 616 R HN 0.575 nan 8.270 nan 0.000 0.439 617 T N -2.229 112.135 114.554 -0.317 0.000 3.129 617 T HA 0.065 4.415 4.350 -0.000 0.000 0.251 617 T C 0.703 175.257 174.700 -0.244 0.000 1.117 617 T CA 0.099 61.848 62.100 -0.586 0.000 1.034 617 T CB 0.212 68.579 68.868 -0.837 0.000 0.968 617 T HN 0.066 nan 8.240 nan 0.000 0.526 618 S N 0.661 116.283 115.700 -0.130 0.000 2.405 618 S HA 0.392 4.862 4.470 -0.000 0.000 0.291 618 S C 0.837 175.414 174.600 -0.038 0.000 1.137 618 S CA -0.720 57.441 58.200 -0.064 0.000 1.061 618 S CB 0.300 63.469 63.200 -0.051 0.000 1.001 618 S HN 0.256 nan 8.310 nan 0.000 0.507 619 V N 6.482 126.391 119.914 -0.008 0.000 2.735 619 V HA 0.068 4.188 4.120 -0.000 0.000 0.234 619 V C 2.134 178.244 176.094 0.028 0.000 1.121 619 V CA 0.602 62.908 62.300 0.010 0.000 1.160 619 V CB -0.799 31.013 31.823 -0.018 0.000 0.908 619 V HN 0.772 nan 8.190 nan 0.000 0.495 620 L N 0.483 121.708 121.223 0.003 0.000 2.083 620 L HA -0.180 4.159 4.340 -0.000 0.000 0.209 620 L C 2.115 179.105 176.870 0.200 0.000 1.083 620 L CA 1.974 56.793 54.840 -0.034 0.000 0.752 620 L CB -0.474 41.422 42.059 -0.272 0.000 0.899 620 L HN 0.415 nan 8.230 nan 0.000 0.433 621 D N -0.367 120.150 120.400 0.194 0.000 2.363 621 D HA -0.099 4.541 4.640 -0.000 0.000 0.220 621 D C 1.989 178.442 176.300 0.255 0.000 0.994 621 D CA 0.741 54.903 54.000 0.270 0.000 0.890 621 D CB 0.272 41.244 40.800 0.286 0.000 0.906 621 D HN 0.147 nan 8.370 nan 0.000 0.530 622 K N -0.733 119.761 120.400 0.157 0.000 2.242 622 K HA 0.164 4.483 4.320 -0.000 0.000 0.200 622 K C 1.808 178.533 176.600 0.208 0.000 1.050 622 K CA 0.297 56.651 56.287 0.111 0.000 0.981 622 K CB 0.524 32.836 32.500 -0.314 0.000 0.795 622 K HN 0.189 nan 8.250 nan 0.000 0.477 623 I N 0.552 121.223 120.570 0.169 0.000 2.400 623 I HA -0.094 4.076 4.170 -0.000 0.000 0.248 623 I C 0.368 176.554 176.117 0.115 0.000 1.109 623 I CA 0.790 62.185 61.300 0.158 0.000 1.425 623 I CB 0.598 38.696 38.000 0.164 0.000 1.094 623 I HN -0.204 nan 8.210 nan 0.000 0.425 624 V N 2.020 122.052 119.914 0.197 0.000 2.465 624 V HA 0.284 4.404 4.120 -0.000 0.000 0.263 624 V C -2.527 173.653 176.094 0.143 0.000 0.981 624 V CA -1.450 60.899 62.300 0.080 0.000 0.838 624 V CB 0.501 32.332 31.823 0.013 0.000 1.068 624 V HN -0.009 nan 8.190 nan 0.000 0.458 625 P HA 0.001 nan 4.420 nan 0.000 0.263 625 P C 0.069 177.436 177.300 0.111 0.000 1.175 625 P CA 0.531 63.499 63.100 -0.220 0.000 0.761 625 P CB 0.174 31.380 31.700 -0.823 0.000 0.794 626 W N 0.731 122.010 121.300 -0.035 0.000 3.520 626 W HA -0.244 4.416 4.660 -0.000 0.000 0.305 626 W C 0.933 177.533 176.519 0.135 0.000 1.150 626 W CA 0.720 58.102 57.345 0.062 0.000 0.656 626 W CB -2.868 26.614 29.460 0.038 0.000 2.198 626 W HN 0.546 nan 8.180 nan 0.000 1.417 627 Y N -1.557 118.874 120.300 0.218 0.000 2.506 627 Y HA 0.079 4.629 4.550 -0.000 0.000 0.287 627 Y C 2.125 178.120 175.900 0.159 0.000 1.147 627 Y CA 1.753 59.922 58.100 0.116 0.000 1.241 627 Y CB -0.829 37.585 38.460 -0.078 0.000 1.279 627 Y HN -0.108 nan 8.280 nan 0.000 0.527 628 Y N 1.012 121.472 120.300 0.268 0.000 2.583 628 Y HA 0.060 4.610 4.550 -0.000 0.000 0.293 628 Y C 0.380 176.145 175.900 -0.225 0.000 1.157 628 Y CA 0.188 58.275 58.100 -0.021 0.000 1.315 628 Y CB -0.053 38.422 38.460 0.025 0.000 1.021 628 Y HN 0.053 nan 8.280 nan 0.000 0.536 629 Q N 0.502 120.337 119.800 0.058 0.000 2.266 629 Q HA 0.313 4.653 4.340 -0.000 0.000 0.261 629 Q C -0.452 175.520 176.000 -0.047 0.000 0.985 629 Q CA -0.836 54.963 55.803 -0.006 0.000 0.873 629 Q CB 2.226 31.004 28.738 0.066 0.000 1.306 629 Q HN 0.222 nan 8.270 nan 0.000 0.447 630 R N 2.007 122.471 120.500 -0.061 0.000 2.308 630 R HA 0.485 4.824 4.340 -0.000 0.000 0.305 630 R C -0.686 175.587 176.300 -0.045 0.000 1.053 630 R CA -0.101 55.968 56.100 -0.052 0.000 0.957 630 R CB 0.384 30.672 30.300 -0.020 0.000 1.022 630 R HN 0.513 nan 8.270 nan 0.000 0.461 631 L N 2.762 123.950 121.223 -0.058 0.000 2.319 631 L HA 0.372 4.712 4.340 -0.000 0.000 0.267 631 L C 0.250 177.095 176.870 -0.042 0.000 1.011 631 L CA -1.167 53.600 54.840 -0.122 0.000 0.818 631 L CB 1.562 43.424 42.059 -0.327 0.000 1.316 631 L HN 0.659 nan 8.230 nan 0.000 0.432 632 N N 0.905 119.578 118.700 -0.047 0.000 2.492 632 N HA -0.042 4.698 4.740 -0.000 0.000 0.262 632 N C 0.417 175.971 175.510 0.073 0.000 1.202 632 N CA -0.009 53.054 53.050 0.022 0.000 0.926 632 N CB 1.358 39.855 38.487 0.016 0.000 1.078 632 N HN 0.630 nan 8.380 nan 0.000 0.454 633 E N 1.706 122.006 120.200 0.166 0.000 2.267 633 E HA -0.105 4.245 4.350 -0.000 0.000 0.197 633 E C 0.941 177.766 176.600 0.374 0.000 0.998 633 E CA 1.529 58.120 56.400 0.319 0.000 0.830 633 E CB 0.197 30.072 29.700 0.291 0.000 0.751 633 E HN 0.641 nan 8.360 nan 0.000 0.491 634 T N -1.553 113.128 114.554 0.211 0.000 3.056 634 T HA -0.028 4.321 4.350 -0.000 0.000 0.241 634 T C 1.969 176.731 174.700 0.103 0.000 1.006 634 T CA 1.033 63.238 62.100 0.176 0.000 1.115 634 T CB 0.014 68.963 68.868 0.136 0.000 0.939 634 T HN 0.362 nan 8.240 nan 0.000 0.462 635 T N -0.787 113.805 114.554 0.063 0.000 3.044 635 T HA 0.370 4.720 4.350 -0.000 0.000 0.255 635 T C 1.984 176.682 174.700 -0.003 0.000 1.073 635 T CA 1.131 63.260 62.100 0.048 0.000 1.125 635 T CB -0.193 68.703 68.868 0.046 0.000 0.908 635 T HN 0.529 nan 8.240 nan 0.000 0.480 636 G N 1.017 109.736 108.800 -0.136 0.000 2.176 636 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.253 636 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.253 636 G C 0.231 174.879 174.900 -0.420 0.000 0.979 636 G CA 0.170 44.977 45.100 -0.487 0.000 0.641 636 G HN 0.778 nan 8.290 nan 0.000 0.530 637 S N -0.143 115.478 115.700 -0.132 0.000 2.562 637 S HA 0.439 4.909 4.470 -0.000 0.000 0.281 637 S C 0.848 175.401 174.600 -0.077 0.000 1.333 637 S CA -0.248 57.926 58.200 -0.043 0.000 1.052 637 S CB 1.940 65.148 63.200 0.014 0.000 0.884 637 S HN 0.707 nan 8.310 nan 0.000 0.506 638 V N 3.796 123.696 119.914 -0.024 0.000 2.529 638 V HA 0.046 4.166 4.120 -0.000 0.000 0.292 638 V C 0.850 176.941 176.094 -0.003 0.000 1.028 638 V CA 0.058 62.348 62.300 -0.017 0.000 1.074 638 V CB -0.117 31.729 31.823 0.039 0.000 0.958 638 V HN 0.795 nan 8.190 nan 0.000 0.481 639 E N 2.898 123.095 120.200 -0.005 0.000 2.392 639 E HA 0.241 4.590 4.350 -0.000 0.000 0.259 639 E C 0.382 176.987 176.600 0.008 0.000 1.108 639 E CA 0.302 56.709 56.400 0.011 0.000 0.916 639 E CB 0.674 30.389 29.700 0.026 0.000 0.989 639 E HN 0.830 nan 8.360 nan 0.000 0.432 640 S N -0.399 115.303 115.700 0.003 0.000 2.902 640 S HA 0.314 4.783 4.470 -0.000 0.000 0.250 640 S C 0.919 175.496 174.600 -0.038 0.000 1.046 640 S CA -0.146 58.035 58.200 -0.031 0.000 1.069 640 S CB 0.779 63.957 63.200 -0.037 0.000 0.967 640 S HN 0.516 nan 8.310 nan 0.000 0.530 641 A N 2.428 125.259 122.820 0.018 0.000 2.019 641 A HA -0.041 4.278 4.320 -0.000 0.000 0.219 641 A C 2.375 179.921 177.584 -0.064 0.000 1.164 641 A CA 2.019 54.096 52.037 0.066 0.000 0.644 641 A CB -1.414 17.736 19.000 0.250 0.000 0.805 641 A HN 0.809 nan 8.150 nan 0.000 0.449 642 T N -4.270 110.141 114.554 -0.238 0.000 2.904 642 T HA -0.094 4.256 4.350 -0.000 0.000 0.267 642 T C 1.396 175.887 174.700 -0.347 0.000 1.059 642 T CA 2.011 63.847 62.100 -0.440 0.000 1.137 642 T CB -0.761 67.852 68.868 -0.425 0.000 0.879 642 T HN 1.573 nan 8.240 nan 0.000 0.467 643 C N -2.257 116.870 119.300 -0.288 0.000 6.250 643 C HA 0.044 4.504 4.460 -0.000 0.000 0.212 643 C C 1.531 176.378 174.990 -0.238 0.000 1.162 643 C CA -0.564 58.296 59.018 -0.263 0.000 1.149 643 C CB -1.171 26.365 27.740 -0.341 0.000 2.303 643 C HN 0.638 nan 8.230 nan 0.000 0.676 644 C N 1.609 120.712 119.300 -0.327 0.000 2.796 644 C HA 0.736 5.196 4.460 -0.000 0.000 0.071 644 C C 0.926 175.859 174.990 -0.095 0.000 2.282 644 C CA 0.574 59.466 59.018 -0.211 0.000 1.735 644 C CB -0.208 27.361 27.740 -0.285 0.000 2.728 644 C HN 0.664 nan 8.230 nan 0.000 0.361 645 S N 1.921 117.617 115.700 -0.007 0.000 2.543 645 S HA 0.272 4.742 4.470 -0.000 0.000 0.299 645 S C -1.177 173.471 174.600 0.080 0.000 1.125 645 S CA -0.115 58.111 58.200 0.044 0.000 1.098 645 S CB -0.421 62.818 63.200 0.066 0.000 1.063 645 S HN 0.442 nan 8.310 nan 0.000 0.493 646 D N 3.307 123.731 120.400 0.040 0.000 2.531 646 D HA 0.069 4.709 4.640 -0.000 0.000 0.239 646 D C 0.756 177.075 176.300 0.032 0.000 1.144 646 D CA 0.486 54.519 54.000 0.054 0.000 0.869 646 D CB 0.508 41.339 40.800 0.052 0.000 1.160 646 D HN 0.503 nan 8.370 nan 0.000 0.484 647 S N 0.616 116.331 115.700 0.026 0.000 2.693 647 S HA 0.681 5.151 4.470 -0.000 0.000 0.276 647 S C -0.110 174.409 174.600 -0.135 0.000 1.192 647 S CA -0.986 57.137 58.200 -0.129 0.000 0.994 647 S CB 1.795 64.890 63.200 -0.175 0.000 1.012 647 S HN 0.430 nan 8.310 nan 0.000 0.550 648 A N 1.405 124.055 122.820 -0.284 0.000 2.923 648 A HA 0.612 4.932 4.320 -0.000 0.000 0.343 648 A C -2.219 175.320 177.584 -0.076 0.000 1.199 648 A CA -1.648 50.202 52.037 -0.312 0.000 0.878 648 A CB 0.074 18.618 19.000 -0.759 0.000 1.104 648 A HN 0.637 nan 8.150 nan 0.000 0.483 649 P HA -0.162 nan 4.420 nan 0.000 0.225 649 P C 1.298 178.564 177.300 -0.057 0.000 1.148 649 P CA 1.038 64.233 63.100 0.158 0.000 0.779 649 P CB 0.339 31.988 31.700 -0.085 0.000 0.780 650 E N -1.566 118.518 120.200 -0.194 0.000 2.482 650 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 650 E C -0.050 176.605 176.600 0.092 0.000 1.047 650 E CA 0.682 56.979 56.400 -0.171 0.000 0.869 650 E CB -0.754 28.852 29.700 -0.156 0.000 0.836 650 E HN 0.339 nan 8.360 nan 0.000 0.520 651 H N 1.665 120.743 119.070 0.012 0.000 2.562 651 H HA 0.308 4.863 4.556 -0.000 0.000 0.314 651 H C 1.071 176.461 175.328 0.103 0.000 1.079 651 H CA -0.545 55.500 56.048 -0.004 0.000 1.349 651 H CB 1.135 30.687 29.762 -0.349 0.000 1.432 651 H HN 0.020 nan 8.280 nan 0.000 0.479 652 R N 1.833 122.477 120.500 0.241 0.000 2.113 652 R HA -0.152 4.188 4.340 -0.000 0.000 0.244 652 R C 1.446 177.817 176.300 0.118 0.000 1.142 652 R CA 1.438 57.620 56.100 0.137 0.000 0.953 652 R CB 0.033 30.381 30.300 0.080 0.000 0.860 652 R HN 0.447 nan 8.270 nan 0.000 0.438 653 M N -0.779 118.921 119.600 0.168 0.000 2.476 653 M HA -0.054 4.426 4.480 -0.000 0.000 0.262 653 M C 1.804 178.330 176.300 0.377 0.000 1.079 653 M CA 1.076 56.394 55.300 0.030 0.000 1.104 653 M CB -0.474 31.793 32.600 -0.554 0.000 1.409 653 M HN 0.147 nan 8.290 nan 0.000 0.467 654 F N 0.599 120.745 119.950 0.327 0.000 2.270 654 F HA 0.037 4.564 4.527 -0.000 0.000 0.295 654 F C 2.242 178.109 175.800 0.111 0.000 1.087 654 F CA 0.823 59.026 58.000 0.338 0.000 1.365 654 F CB 0.144 39.339 39.000 0.325 0.000 1.056 654 F HN 0.116 nan 8.300 nan 0.000 0.506 655 A N 0.630 123.457 122.820 0.012 0.000 1.908 655 A HA -0.273 4.046 4.320 -0.000 0.000 0.218 655 A C 2.186 179.679 177.584 -0.152 0.000 1.181 655 A CA 2.054 54.008 52.037 -0.138 0.000 0.627 655 A CB -0.816 18.158 19.000 -0.043 0.000 0.818 655 A HN 0.469 nan 8.150 nan 0.000 0.445 656 K N -0.425 119.949 120.400 -0.044 0.000 2.097 656 K HA -0.047 4.273 4.320 -0.000 0.000 0.205 656 K C 1.980 178.577 176.600 -0.004 0.000 1.050 656 K CA 1.325 57.609 56.287 -0.005 0.000 0.938 656 K CB -0.290 32.230 32.500 0.034 0.000 0.718 656 K HN 0.466 nan 8.250 nan 0.000 0.442 657 L N 1.084 122.297 121.223 -0.018 0.000 2.046 657 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 657 L C 2.138 178.790 176.870 -0.363 0.000 1.077 657 L CA 1.218 55.993 54.840 -0.107 0.000 0.747 657 L CB -0.159 41.896 42.059 -0.007 0.000 0.896 657 L HN 0.250 nan 8.230 nan 0.000 0.432 658 I N -0.046 120.160 120.570 -0.608 0.000 2.142 658 I HA -0.303 3.867 4.170 -0.000 0.000 0.240 658 I C 2.768 178.550 176.117 -0.558 0.000 1.078 658 I CA 1.269 62.020 61.300 -0.916 0.000 1.343 658 I CB -0.593 36.786 38.000 -1.035 0.000 1.046 658 I HN 0.342 nan 8.210 nan 0.000 0.405 659 A N 0.402 123.042 122.820 -0.301 0.000 1.902 659 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 659 A C 1.928 179.485 177.584 -0.045 0.000 1.181 659 A CA 2.077 54.040 52.037 -0.123 0.000 0.623 659 A CB -0.600 18.375 19.000 -0.042 0.000 0.818 659 A HN 0.349 nan 8.150 nan 0.000 0.443 660 D N -0.641 119.754 120.400 -0.008 0.000 2.144 660 D HA -0.103 4.537 4.640 -0.000 0.000 0.199 660 D C 2.256 178.590 176.300 0.056 0.000 0.984 660 D CA 1.513 55.572 54.000 0.098 0.000 0.834 660 D CB -0.341 40.625 40.800 0.277 0.000 0.955 660 D HN 0.413 nan 8.370 nan 0.000 0.465 661 S N -0.260 115.420 115.700 -0.034 0.000 2.355 661 S HA -0.072 4.398 4.470 -0.000 0.000 0.222 661 S C 2.080 176.775 174.600 0.159 0.000 1.031 661 S CA 0.614 58.847 58.200 0.056 0.000 0.993 661 S CB -0.295 62.982 63.200 0.128 0.000 0.859 661 S HN 0.181 nan 8.310 nan 0.000 0.453 662 L N 1.162 122.408 121.223 0.037 0.000 2.131 662 L HA -0.067 4.273 4.340 -0.000 0.000 0.210 662 L C 2.933 179.885 176.870 0.138 0.000 1.092 662 L CA 1.069 55.886 54.840 -0.038 0.000 0.759 662 L CB -0.682 41.195 42.059 -0.303 0.000 0.903 662 L HN 0.436 nan 8.230 nan 0.000 0.435 663 A N -0.321 122.570 122.820 0.118 0.000 1.902 663 A HA -0.150 4.169 4.320 -0.000 0.000 0.217 663 A C 2.342 180.016 177.584 0.150 0.000 1.181 663 A CA 1.819 53.944 52.037 0.146 0.000 0.623 663 A CB -0.746 18.318 19.000 0.107 0.000 0.818 663 A HN 0.188 nan 8.150 nan 0.000 0.443 664 V N -2.140 117.815 119.914 0.068 0.000 2.307 664 V HA -0.276 3.844 4.120 -0.000 0.000 0.245 664 V C 2.267 178.433 176.094 0.120 0.000 1.045 664 V CA 1.769 64.036 62.300 -0.054 0.000 1.024 664 V CB -1.072 30.553 31.823 -0.331 0.000 0.651 664 V HN 0.804 nan 8.190 nan 0.000 0.449 665 W N 0.316 121.829 121.300 0.356 0.000 2.350 665 W HA -0.173 4.487 4.660 -0.000 0.000 0.289 665 W C 2.586 179.444 176.519 0.564 0.000 1.215 665 W CA 1.532 59.200 57.345 0.538 0.000 1.236 665 W CB -0.734 29.078 29.460 0.586 0.000 1.130 665 W HN 0.152 nan 8.180 nan 0.000 0.541 666 T N -0.735 114.248 114.554 0.714 0.000 2.698 666 T HA -0.153 4.196 4.350 -0.000 0.000 0.260 666 T C 1.656 176.578 174.700 0.369 0.000 1.044 666 T CA 2.025 64.465 62.100 0.567 0.000 1.149 666 T CB -0.847 68.323 68.868 0.503 0.000 0.864 666 T HN 0.012 nan 8.240 nan 0.000 0.419 667 T N 2.206 116.920 114.554 0.267 0.000 2.701 667 T HA -0.082 4.268 4.350 -0.000 0.000 0.263 667 T C 1.643 176.438 174.700 0.159 0.000 1.040 667 T CA 1.153 63.355 62.100 0.170 0.000 1.147 667 T CB -0.385 68.546 68.868 0.106 0.000 0.865 667 T HN 0.323 nan 8.240 nan 0.000 0.426 668 D N -0.264 120.184 120.400 0.079 0.000 2.289 668 D HA 0.020 4.660 4.640 -0.000 0.000 0.207 668 D C 0.889 177.137 176.300 -0.087 0.000 0.966 668 D CA 0.869 54.812 54.000 -0.095 0.000 0.868 668 D CB 0.078 40.632 40.800 -0.411 0.000 0.943 668 D HN 0.453 nan 8.370 nan 0.000 0.514 669 Y N 0.232 120.783 120.300 0.418 0.000 2.481 669 Y HA 0.211 4.761 4.550 -0.000 0.000 0.247 669 Y C 0.305 176.615 175.900 0.683 0.000 1.151 669 Y CA -0.457 58.020 58.100 0.628 0.000 1.238 669 Y CB 0.400 39.234 38.460 0.622 0.000 1.179 669 Y HN -0.278 nan 8.280 nan 0.000 0.524 670 K N 0.666 121.398 120.400 0.552 0.000 3.077 670 K HA -0.186 4.134 4.320 -0.000 0.000 0.264 670 K C -0.680 176.084 176.600 0.272 0.000 1.008 670 K CA 0.196 56.651 56.287 0.280 0.000 0.740 670 K CB -1.462 31.011 32.500 -0.046 0.000 1.273 670 K HN 0.172 nan 8.250 nan 0.000 0.477 671 I N 1.401 122.178 120.570 0.346 0.000 2.529 671 I HA -0.018 4.152 4.170 -0.000 0.000 0.284 671 I C 1.576 177.740 176.117 0.077 0.000 1.082 671 I CA 0.196 61.587 61.300 0.152 0.000 1.406 671 I CB 0.916 38.925 38.000 0.015 0.000 1.405 671 I HN 0.162 nan 8.210 nan 0.000 0.548 672 D N 4.121 124.546 120.400 0.042 0.000 2.333 672 D HA 0.154 4.793 4.640 -0.000 0.000 0.208 672 D C 0.921 177.343 176.300 0.203 0.000 0.984 672 D CA 0.544 54.626 54.000 0.136 0.000 0.873 672 D CB 1.051 41.934 40.800 0.138 0.000 0.935 672 D HN 0.717 nan 8.370 nan 0.000 0.521 673 G N -0.248 108.564 108.800 0.019 0.000 2.646 673 G HA2 0.487 4.447 3.960 -0.000 0.000 0.291 673 G HA3 0.487 4.447 3.960 -0.000 0.000 0.291 673 G C -1.847 172.913 174.900 -0.234 0.000 1.445 673 G CA -0.786 44.432 45.100 0.197 0.000 0.814 673 G HN -0.070 nan 8.290 nan 0.000 0.495 674 F N 0.342 120.415 119.950 0.205 0.000 2.556 674 F HA 0.675 5.202 4.527 -0.000 0.000 0.314 674 F C 0.286 175.805 175.800 -0.467 0.000 1.106 674 F CA -1.006 56.867 58.000 -0.211 0.000 0.911 674 F CB 2.635 41.307 39.000 -0.548 0.000 1.190 674 F HN 0.287 nan 8.300 nan 0.000 0.448 675 R N 3.511 123.719 120.500 -0.486 0.000 2.288 675 R HA 0.388 4.727 4.340 -0.000 0.000 0.326 675 R C -1.791 174.227 176.300 -0.470 0.000 0.959 675 R CA -0.528 55.069 56.100 -0.838 0.000 0.834 675 R CB 0.366 30.207 30.300 -0.765 0.000 1.157 675 R HN 0.542 nan 8.270 nan 0.000 0.470 676 F N 2.608 122.343 119.950 -0.360 0.000 2.445 676 F HA 0.113 4.639 4.527 -0.000 0.000 0.359 676 F C 1.019 176.737 175.800 -0.136 0.000 1.101 676 F CA -0.190 57.674 58.000 -0.226 0.000 1.177 676 F CB 0.667 39.491 39.000 -0.294 0.000 1.110 676 F HN 0.468 nan 8.300 nan 0.000 0.522 677 D N 3.480 123.918 120.400 0.064 0.000 2.389 677 D HA 0.195 4.835 4.640 -0.000 0.000 0.247 677 D C 0.308 176.667 176.300 0.098 0.000 1.128 677 D CA -0.001 54.026 54.000 0.046 0.000 0.884 677 D CB 0.552 41.418 40.800 0.110 0.000 1.194 677 D HN 0.567 nan 8.370 nan 0.000 0.441 678 L N 3.348 124.573 121.223 0.003 0.000 3.965 678 L HA -0.264 4.076 4.340 -0.000 0.000 0.476 678 L C 1.444 178.491 176.870 0.296 0.000 1.201 678 L CA -0.012 54.884 54.840 0.094 0.000 0.710 678 L CB -1.143 40.920 42.059 0.007 0.000 1.509 678 L HN 0.749 nan 8.230 nan 0.000 0.815 679 M N 0.641 120.349 119.600 0.180 0.000 2.279 679 M HA -0.161 4.319 4.480 -0.000 0.000 0.264 679 M C 1.996 178.483 176.300 0.313 0.000 1.062 679 M CA 1.990 57.411 55.300 0.201 0.000 1.099 679 M CB 0.073 32.709 32.600 0.060 0.000 1.394 679 M HN 0.694 nan 8.290 nan 0.000 0.426 680 L N -2.508 118.907 121.223 0.321 0.000 2.622 680 L HA -0.051 4.289 4.340 -0.000 0.000 0.233 680 L C 0.836 177.853 176.870 0.244 0.000 1.156 680 L CA 0.720 55.736 54.840 0.294 0.000 0.866 680 L CB -1.042 41.190 42.059 0.289 0.000 0.980 680 L HN 0.184 nan 8.230 nan 0.000 0.448 681 Y N -0.368 120.085 120.300 0.254 0.000 2.466 681 Y HA 0.189 4.739 4.550 -0.000 0.000 0.272 681 Y C 0.352 176.345 175.900 0.154 0.000 1.169 681 Y CA -0.253 57.972 58.100 0.208 0.000 1.285 681 Y CB -0.172 38.362 38.460 0.122 0.000 1.078 681 Y HN 0.299 nan 8.280 nan 0.000 0.523 682 H N -0.553 118.662 119.070 0.242 0.000 2.472 682 H HA 0.319 4.874 4.556 -0.000 0.000 0.338 682 H C -2.393 172.851 175.328 -0.140 0.000 1.133 682 H CA -2.482 53.567 56.048 0.001 0.000 1.216 682 H CB 1.050 30.776 29.762 -0.058 0.000 1.497 682 H HN -0.148 nan 8.280 nan 0.000 0.500 683 P HA -0.021 nan 4.420 nan 0.000 0.271 683 P C 0.688 177.912 177.300 -0.126 0.000 1.216 683 P CA -0.213 62.583 63.100 -0.507 0.000 0.776 683 P CB 0.980 32.218 31.700 -0.769 0.000 0.881 684 K N 3.582 123.977 120.400 -0.008 0.000 2.063 684 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 684 K C 1.675 178.260 176.600 -0.025 0.000 1.048 684 K CA 1.916 58.204 56.287 0.001 0.000 0.928 684 K CB -0.594 31.927 32.500 0.036 0.000 0.713 684 K HN 0.435 nan 8.250 nan 0.000 0.442 685 A N 1.385 124.184 122.820 -0.036 0.000 1.940 685 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 685 A C 2.179 179.735 177.584 -0.047 0.000 1.176 685 A CA 1.604 53.622 52.037 -0.032 0.000 0.631 685 A CB -0.630 18.347 19.000 -0.038 0.000 0.814 685 A HN 0.526 nan 8.150 nan 0.000 0.446 686 Q N -0.298 119.448 119.800 -0.090 0.000 2.079 686 Q HA -0.128 4.212 4.340 -0.000 0.000 0.200 686 Q C 1.999 177.954 176.000 -0.076 0.000 0.974 686 Q CA 1.360 57.111 55.803 -0.086 0.000 0.840 686 Q CB -0.232 28.436 28.738 -0.118 0.000 0.898 686 Q HN 0.556 nan 8.270 nan 0.000 0.430 687 I N 1.305 121.806 120.570 -0.116 0.000 2.179 687 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 687 I C 2.517 178.645 176.117 0.020 0.000 1.088 687 I CA 1.020 62.217 61.300 -0.172 0.000 1.357 687 I CB -1.220 36.611 38.000 -0.282 0.000 1.051 687 I HN 0.237 nan 8.210 nan 0.000 0.409 688 L N -0.200 121.043 121.223 0.034 0.000 2.093 688 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 688 L C 2.749 179.690 176.870 0.118 0.000 1.085 688 L CA 1.360 56.272 54.840 0.121 0.000 0.755 688 L CB -0.595 41.520 42.059 0.093 0.000 0.904 688 L HN 0.240 nan 8.230 nan 0.000 0.435 689 S N -0.123 115.611 115.700 0.056 0.000 2.356 689 S HA -0.191 4.278 4.470 -0.000 0.000 0.223 689 S C 2.169 176.806 174.600 0.061 0.000 1.032 689 S CA 1.281 59.503 58.200 0.035 0.000 1.005 689 S CB -0.094 63.109 63.200 0.005 0.000 0.867 689 S HN 0.428 nan 8.310 nan 0.000 0.449 690 A N 0.481 123.360 122.820 0.098 0.000 1.883 690 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 690 A C 1.918 179.659 177.584 0.261 0.000 1.186 690 A CA 1.766 53.911 52.037 0.179 0.000 0.624 690 A CB -1.363 17.770 19.000 0.221 0.000 0.822 690 A HN 0.822 nan 8.150 nan 0.000 0.444 691 W N 0.970 122.232 121.300 -0.063 0.000 2.358 691 W HA -0.130 4.530 4.660 -0.000 0.000 0.303 691 W C 2.018 178.374 176.519 -0.271 0.000 1.208 691 W CA 1.639 58.659 57.345 -0.541 0.000 1.274 691 W CB -0.476 28.600 29.460 -0.639 0.000 1.138 691 W HN 0.538 nan 8.180 nan 0.000 0.515 692 E N -0.637 119.502 120.200 -0.101 0.000 2.110 692 E HA -0.231 4.119 4.350 -0.000 0.000 0.193 692 E C 2.264 178.785 176.600 -0.133 0.000 0.988 692 E CA 1.146 57.434 56.400 -0.188 0.000 0.804 692 E CB -0.161 29.485 29.700 -0.089 0.000 0.745 692 E HN 0.018 nan 8.360 nan 0.000 0.458 693 R N 0.375 120.849 120.500 -0.043 0.000 2.073 693 R HA -0.056 4.284 4.340 -0.000 0.000 0.229 693 R C 2.191 178.497 176.300 0.010 0.000 1.120 693 R CA 0.786 56.883 56.100 -0.005 0.000 0.967 693 R CB -0.366 29.954 30.300 0.034 0.000 0.862 693 R HN 0.238 nan 8.270 nan 0.000 0.436 694 I N 1.044 121.636 120.570 0.038 0.000 2.353 694 I HA -0.156 4.013 4.170 -0.000 0.000 0.248 694 I C 1.952 178.078 176.117 0.014 0.000 1.119 694 I CA 0.985 62.347 61.300 0.104 0.000 1.417 694 I CB -0.825 37.346 38.000 0.286 0.000 1.078 694 I HN 0.089 nan 8.210 nan 0.000 0.421 695 K N 1.019 121.317 120.400 -0.169 0.000 2.211 695 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 695 K C 2.134 178.665 176.600 -0.115 0.000 1.047 695 K CA 1.304 57.455 56.287 -0.226 0.000 0.935 695 K CB -0.075 32.124 32.500 -0.502 0.000 0.728 695 K HN 0.293 nan 8.250 nan 0.000 0.452 696 A N 1.040 123.810 122.820 -0.083 0.000 1.969 696 A HA -0.092 4.227 4.320 -0.000 0.000 0.218 696 A C 1.996 179.578 177.584 -0.004 0.000 1.169 696 A CA 1.098 53.109 52.037 -0.044 0.000 0.635 696 A CB -0.309 18.672 19.000 -0.032 0.000 0.810 696 A HN 0.146 nan 8.150 nan 0.000 0.445 697 L N -1.311 119.928 121.223 0.028 0.000 2.127 697 L HA 0.071 4.411 4.340 -0.000 0.000 0.203 697 L C 0.704 177.616 176.870 0.070 0.000 1.080 697 L CA 0.655 55.532 54.840 0.061 0.000 0.768 697 L CB -0.076 42.044 42.059 0.102 0.000 0.924 697 L HN 0.396 nan 8.230 nan 0.000 0.444 698 N N -0.238 118.513 118.700 0.084 0.000 2.607 698 N HA 0.148 4.888 4.740 -0.000 0.000 0.271 698 N C -2.139 173.411 175.510 0.067 0.000 1.142 698 N CA -1.691 51.418 53.050 0.098 0.000 0.810 698 N CB 1.644 40.233 38.487 0.171 0.000 1.306 698 N HN -0.201 nan 8.380 nan 0.000 0.536 699 P HA -0.071 nan 4.420 nan 0.000 0.220 699 P C -0.161 177.156 177.300 0.028 0.000 1.144 699 P CA 1.176 64.264 63.100 -0.020 0.000 0.800 699 P CB 0.528 32.215 31.700 -0.020 0.000 0.772 700 D N -0.852 119.608 120.400 0.101 0.000 2.368 700 D HA 0.120 4.759 4.640 -0.000 0.000 0.218 700 D C 0.794 177.266 176.300 0.286 0.000 1.112 700 D CA -0.538 53.563 54.000 0.168 0.000 0.834 700 D CB -0.279 40.603 40.800 0.136 0.000 0.953 700 D HN 0.189 nan 8.370 nan 0.000 0.505 701 I N 1.124 121.890 120.570 0.327 0.000 2.752 701 I HA -0.024 4.146 4.170 -0.000 0.000 0.287 701 I C -0.648 175.889 176.117 0.701 0.000 1.188 701 I CA -0.061 61.539 61.300 0.500 0.000 1.427 701 I CB 0.267 38.596 38.000 0.548 0.000 1.365 701 I HN -0.124 nan 8.210 nan 0.000 0.585 702 Y N 7.563 128.202 120.300 0.565 0.000 2.364 702 Y HA 0.574 5.124 4.550 -0.000 0.000 0.340 702 Y C -1.440 174.904 175.900 0.740 0.000 0.975 702 Y CA -0.952 57.453 58.100 0.508 0.000 1.089 702 Y CB 0.885 39.529 38.460 0.306 0.000 1.192 702 Y HN 0.370 nan 8.280 nan 0.000 0.454 703 F N 7.453 127.111 119.950 -0.485 0.000 2.469 703 F HA 0.606 5.133 4.527 -0.000 0.000 0.332 703 F C -0.794 174.712 175.800 -0.490 0.000 1.103 703 F CA -1.513 56.308 58.000 -0.299 0.000 0.979 703 F CB 1.262 39.991 39.000 -0.452 0.000 1.137 703 F HN 0.427 nan 8.300 nan 0.000 0.463 704 F N -0.195 119.651 119.950 -0.174 0.000 2.713 704 F HA 0.932 5.459 4.527 -0.000 0.000 0.311 704 F C -0.648 175.217 175.800 0.108 0.000 1.141 704 F CA -1.520 56.388 58.000 -0.154 0.000 0.939 704 F CB 1.398 40.268 39.000 -0.217 0.000 1.325 704 F HN 0.684 nan 8.300 nan 0.000 0.453 705 G N -0.158 108.746 108.800 0.173 0.000 2.606 705 G HA2 0.554 4.513 3.960 -0.000 0.000 0.300 705 G HA3 0.554 4.513 3.960 -0.000 0.000 0.300 705 G C -2.377 172.695 174.900 0.288 0.000 1.360 705 G CA -0.626 44.561 45.100 0.145 0.000 0.783 705 G HN 1.038 nan 8.290 nan 0.000 0.484 706 E N -2.360 117.800 120.200 -0.066 0.000 2.446 706 E HA 0.659 5.009 4.350 -0.000 0.000 0.269 706 E C 0.332 176.257 176.600 -1.125 0.000 0.977 706 E CA 0.006 55.970 56.400 -0.726 0.000 0.854 706 E CB 1.845 31.266 29.700 -0.465 0.000 1.545 706 E HN 1.500 nan 8.360 nan 0.000 0.448 707 G N -0.087 107.703 108.800 -1.683 0.000 1.775 707 G HA2 -0.108 3.851 3.960 -0.000 0.000 0.059 707 G HA3 -0.108 3.851 3.960 -0.000 0.000 0.059 707 G C -0.866 173.738 174.900 -0.492 0.000 1.152 707 G CA 0.046 44.690 45.100 -0.760 0.000 1.107 707 G HN 0.792 nan 8.290 nan 0.000 0.323 708 W N 0.763 122.148 121.300 0.142 0.000 2.025 708 W HA -0.185 4.475 4.660 -0.000 0.000 0.270 708 W C 0.711 177.292 176.519 0.105 0.000 1.076 708 W CA 0.645 58.057 57.345 0.111 0.000 0.477 708 W CB -1.725 27.819 29.460 0.139 0.000 2.104 708 W HN 0.810 nan 8.180 nan 0.000 1.210 709 D N -1.969 118.610 120.400 0.299 0.000 2.636 709 D HA 0.201 4.841 4.640 -0.000 0.000 0.270 709 D C 1.129 177.488 176.300 0.099 0.000 1.430 709 D CA 0.425 54.547 54.000 0.204 0.000 0.796 709 D CB 0.184 41.125 40.800 0.236 0.000 1.117 709 D HN -0.082 nan 8.370 nan 0.000 0.480 710 S N 1.806 117.490 115.700 -0.027 0.000 2.456 710 S HA -0.389 4.081 4.470 -0.000 0.000 0.232 710 S C 1.323 175.666 174.600 -0.428 0.000 1.046 710 S CA 2.503 60.420 58.200 -0.472 0.000 1.175 710 S CB -0.600 62.396 63.200 -0.340 0.000 1.129 710 S HN 0.711 nan 8.310 nan 0.000 0.420 711 N N -1.588 116.966 118.700 -0.244 0.000 2.967 711 N HA -0.147 4.593 4.740 -0.000 0.000 0.241 711 N C -0.171 175.180 175.510 -0.265 0.000 0.983 711 N CA 0.808 53.746 53.050 -0.187 0.000 0.918 711 N CB -1.097 37.321 38.487 -0.115 0.000 1.109 711 N HN 0.403 nan 8.380 nan 0.000 0.567 712 Q N -0.147 119.423 119.800 -0.384 0.000 2.319 712 Q HA 0.238 4.578 4.340 -0.000 0.000 0.202 712 Q C 1.381 177.000 176.000 -0.634 0.000 0.896 712 Q CA 0.228 55.702 55.803 -0.549 0.000 0.942 712 Q CB 0.422 28.744 28.738 -0.694 0.000 1.083 712 Q HN 0.317 nan 8.270 nan 0.000 0.510 713 S N 2.384 117.861 115.700 -0.371 0.000 2.402 713 S HA -0.170 4.300 4.470 -0.000 0.000 0.233 713 S C 1.465 175.916 174.600 -0.248 0.000 1.030 713 S CA 1.634 59.675 58.200 -0.265 0.000 1.003 713 S CB -0.167 62.951 63.200 -0.136 0.000 0.813 713 S HN 0.599 nan 8.310 nan 0.000 0.477 714 D N 1.002 121.257 120.400 -0.242 0.000 2.264 714 D HA -0.148 4.492 4.640 -0.000 0.000 0.208 714 D C 1.696 177.883 176.300 -0.187 0.000 0.966 714 D CA 0.806 54.715 54.000 -0.152 0.000 0.864 714 D CB -0.228 40.514 40.800 -0.096 0.000 0.933 714 D HN 0.387 nan 8.370 nan 0.000 0.499 715 R N -0.642 119.595 120.500 -0.438 0.000 2.156 715 R HA 0.207 4.547 4.340 -0.000 0.000 0.207 715 R C 0.070 176.257 176.300 -0.189 0.000 1.040 715 R CA 0.420 56.237 56.100 -0.471 0.000 1.013 715 R CB 0.334 30.180 30.300 -0.756 0.000 0.931 715 R HN 0.269 nan 8.270 nan 0.000 0.465 716 F N -1.882 118.025 119.950 -0.070 0.000 2.842 716 F HA 0.299 4.826 4.527 -0.000 0.000 0.319 716 F C -1.203 174.574 175.800 -0.037 0.000 1.159 716 F CA -1.785 56.188 58.000 -0.044 0.000 0.902 716 F CB 0.851 39.823 39.000 -0.047 0.000 1.311 716 F HN -0.309 nan 8.300 nan 0.000 0.453 717 E N 2.977 123.361 120.200 0.306 0.000 2.265 717 E HA 0.351 4.701 4.350 -0.000 0.000 0.272 717 E C -0.140 176.654 176.600 0.323 0.000 1.067 717 E CA -0.465 56.053 56.400 0.197 0.000 0.900 717 E CB 0.474 30.242 29.700 0.113 0.000 1.017 717 E HN 0.655 nan 8.360 nan 0.000 0.431 718 I N 0.972 121.693 120.570 0.252 0.000 2.764 718 I HA 0.371 4.541 4.170 -0.000 0.000 0.294 718 I C 0.107 176.325 176.117 0.168 0.000 1.045 718 I CA -0.759 60.713 61.300 0.286 0.000 1.340 718 I CB 1.353 39.452 38.000 0.165 0.000 1.436 718 I HN 0.446 nan 8.210 nan 0.000 0.567 719 A N 4.915 127.837 122.820 0.169 0.000 2.990 719 A HA 0.436 4.756 4.320 -0.000 0.000 0.282 719 A C 0.489 178.176 177.584 0.171 0.000 1.688 719 A CA -0.167 51.939 52.037 0.114 0.000 1.391 719 A CB -1.195 17.843 19.000 0.063 0.000 1.112 719 A HN 0.859 nan 8.150 nan 0.000 0.588 720 S N 1.002 116.770 115.700 0.114 0.000 2.747 720 S HA 0.386 4.856 4.470 -0.000 0.000 0.300 720 S C 0.822 175.342 174.600 -0.135 0.000 1.121 720 S CA -0.565 57.686 58.200 0.085 0.000 0.995 720 S CB 0.809 64.021 63.200 0.020 0.000 1.113 720 S HN 0.579 nan 8.310 nan 0.000 0.547 721 Q N -0.195 119.298 119.800 -0.512 0.000 2.061 721 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 721 Q C 2.037 177.691 176.000 -0.577 0.000 0.984 721 Q CA 2.139 57.408 55.803 -0.890 0.000 0.846 721 Q CB -0.796 26.914 28.738 -1.713 0.000 0.902 721 Q HN 0.881 nan 8.270 nan 0.000 0.421 722 I N -1.155 119.189 120.570 -0.377 0.000 2.406 722 I HA -0.114 4.055 4.170 -0.000 0.000 0.249 722 I C 1.400 177.482 176.117 -0.059 0.000 1.122 722 I CA 1.428 62.637 61.300 -0.151 0.000 1.431 722 I CB -0.352 37.594 38.000 -0.090 0.000 1.087 722 I HN -0.036 nan 8.210 nan 0.000 0.424 723 N N 1.286 119.954 118.700 -0.053 0.000 2.381 723 N HA 0.011 4.750 4.740 -0.000 0.000 0.182 723 N C 1.605 177.119 175.510 0.008 0.000 1.025 723 N CA 1.186 54.233 53.050 -0.005 0.000 0.888 723 N CB -0.266 38.229 38.487 0.015 0.000 0.965 723 N HN 0.458 nan 8.380 nan 0.000 0.438 724 L N 0.451 121.669 121.223 -0.008 0.000 2.592 724 L HA 0.112 4.452 4.340 -0.000 0.000 0.227 724 L C 0.879 177.775 176.870 0.044 0.000 1.127 724 L CA -0.120 54.728 54.840 0.014 0.000 0.884 724 L CB -0.031 42.031 42.059 0.005 0.000 1.065 724 L HN -0.003 nan 8.230 nan 0.000 0.457 725 K N 1.073 121.507 120.400 0.055 0.000 2.511 725 K HA 0.051 4.371 4.320 -0.000 0.000 0.280 725 K C 1.194 177.842 176.600 0.080 0.000 1.008 725 K CA 0.968 57.312 56.287 0.095 0.000 1.050 725 K CB 0.278 32.837 32.500 0.098 0.000 0.889 725 K HN 0.232 nan 8.250 nan 0.000 0.484 726 G N 2.634 111.487 108.800 0.088 0.000 2.189 726 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.267 726 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.267 726 G C 0.705 175.663 174.900 0.097 0.000 0.975 726 G CA 1.008 46.159 45.100 0.085 0.000 0.644 726 G HN 0.816 nan 8.290 nan 0.000 0.537 727 T N -2.738 111.871 114.554 0.091 0.000 3.067 727 T HA 0.415 4.765 4.350 -0.000 0.000 0.257 727 T C 2.503 177.291 174.700 0.147 0.000 1.105 727 T CA 1.779 63.947 62.100 0.114 0.000 1.104 727 T CB 0.222 69.133 68.868 0.071 0.000 0.925 727 T HN 2.201 nan 8.240 nan 0.000 0.498 728 G N 1.262 110.117 108.800 0.091 0.000 2.195 728 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.246 728 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.246 728 G C 0.005 174.798 174.900 -0.179 0.000 0.984 728 G CA -0.064 45.088 45.100 0.088 0.000 0.633 728 G HN 0.547 nan 8.290 nan 0.000 0.525 729 I N 2.612 123.021 120.570 -0.269 0.000 2.396 729 I HA 0.436 4.605 4.170 -0.000 0.000 0.289 729 I C 1.449 177.500 176.117 -0.109 0.000 1.056 729 I CA 0.081 61.162 61.300 -0.365 0.000 1.365 729 I CB 0.357 38.192 38.000 -0.276 0.000 1.407 729 I HN 0.162 nan 8.210 nan 0.000 0.509 730 G N 4.914 113.647 108.800 -0.113 0.000 2.539 730 G HA2 0.521 4.481 3.960 -0.000 0.000 0.258 730 G HA3 0.521 4.481 3.960 -0.000 0.000 0.258 730 G C -0.224 174.800 174.900 0.207 0.000 1.202 730 G CA -0.148 45.025 45.100 0.122 0.000 0.851 730 G HN 0.690 nan 8.290 nan 0.000 0.556 731 T N -1.604 113.105 114.554 0.259 0.000 2.952 731 T HA 0.517 4.867 4.350 -0.000 0.000 0.305 731 T C -0.577 174.396 174.700 0.455 0.000 1.064 731 T CA -0.808 61.556 62.100 0.440 0.000 1.008 731 T CB 1.193 70.277 68.868 0.360 0.000 1.078 731 T HN 0.231 nan 8.240 nan 0.000 0.459 732 F N 2.123 122.453 119.950 0.633 0.000 2.578 732 F HA 0.401 4.927 4.527 -0.000 0.000 0.376 732 F C 1.422 177.621 175.800 0.665 0.000 1.085 732 F CA 0.320 58.630 58.000 0.516 0.000 1.260 732 F CB 0.847 40.016 39.000 0.282 0.000 1.095 732 F HN 0.677 nan 8.300 nan 0.000 0.573 733 S N 2.315 118.411 115.700 0.658 0.000 2.457 733 S HA 0.200 4.670 4.470 -0.000 0.000 0.289 733 S C 0.461 175.272 174.600 0.352 0.000 1.163 733 S CA -0.986 57.469 58.200 0.425 0.000 1.078 733 S CB 0.444 63.757 63.200 0.187 0.000 0.987 733 S HN 0.603 nan 8.310 nan 0.000 0.482 734 D N 4.301 124.847 120.400 0.244 0.000 2.339 734 D HA 0.088 4.728 4.640 -0.000 0.000 0.217 734 D C 1.431 177.638 176.300 -0.155 0.000 1.050 734 D CA 0.031 54.121 54.000 0.149 0.000 0.856 734 D CB 0.046 41.087 40.800 0.402 0.000 0.922 734 D HN 0.293 nan 8.370 nan 0.000 0.518 735 R N 0.696 120.964 120.500 -0.388 0.000 2.070 735 R HA 0.108 4.448 4.340 -0.000 0.000 0.227 735 R C 2.315 178.467 176.300 -0.247 0.000 1.147 735 R CA 0.832 56.586 56.100 -0.576 0.000 0.924 735 R CB -1.203 28.800 30.300 -0.495 0.000 0.827 735 R HN 0.248 nan 8.270 nan 0.000 0.431 736 L N 0.793 121.911 121.223 -0.175 0.000 2.131 736 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 736 L C 2.540 179.349 176.870 -0.101 0.000 1.092 736 L CA 1.392 56.163 54.840 -0.115 0.000 0.759 736 L CB -0.212 41.796 42.059 -0.084 0.000 0.903 736 L HN 0.153 nan 8.230 nan 0.000 0.435 737 R N -0.036 120.368 120.500 -0.160 0.000 2.097 737 R HA -0.240 4.100 4.340 -0.000 0.000 0.236 737 R C 1.816 178.067 176.300 -0.082 0.000 1.135 737 R CA 2.510 58.472 56.100 -0.230 0.000 0.934 737 R CB -0.494 29.524 30.300 -0.471 0.000 0.846 737 R HN 0.412 nan 8.270 nan 0.000 0.431 738 D N -0.006 120.390 120.400 -0.007 0.000 2.144 738 D HA -0.087 4.553 4.640 -0.000 0.000 0.200 738 D C 1.734 178.075 176.300 0.068 0.000 0.978 738 D CA 1.476 55.527 54.000 0.085 0.000 0.833 738 D CB -0.273 40.663 40.800 0.226 0.000 0.961 738 D HN 0.440 nan 8.370 nan 0.000 0.470 739 A N 0.296 123.135 122.820 0.033 0.000 1.933 739 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 739 A C 2.429 180.025 177.584 0.020 0.000 1.175 739 A CA 1.213 53.258 52.037 0.015 0.000 0.628 739 A CB -0.512 18.462 19.000 -0.043 0.000 0.814 739 A HN 0.160 nan 8.150 nan 0.000 0.444 740 V N -0.569 119.352 119.914 0.012 0.000 2.379 740 V HA -0.131 3.989 4.120 -0.000 0.000 0.243 740 V C 2.558 178.680 176.094 0.047 0.000 1.035 740 V CA 1.841 64.159 62.300 0.031 0.000 1.035 740 V CB -0.733 31.105 31.823 0.025 0.000 0.673 740 V HN 0.478 nan 8.190 nan 0.000 0.457 741 R N 0.252 120.777 120.500 0.040 0.000 2.075 741 R HA 0.247 4.587 4.340 -0.000 0.000 0.232 741 R C 1.042 177.382 176.300 0.065 0.000 1.126 741 R CA 0.893 57.027 56.100 0.057 0.000 0.963 741 R CB -0.242 30.093 30.300 0.057 0.000 0.858 741 R HN 0.598 nan 8.270 nan 0.000 0.435 742 G N -0.691 108.148 108.800 0.065 0.000 2.712 742 G HA2 0.208 4.168 3.960 -0.000 0.000 0.686 742 G HA3 0.208 4.168 3.960 -0.000 0.000 0.686 742 G C 0.183 175.128 174.900 0.076 0.000 1.181 742 G CA -0.460 44.681 45.100 0.069 0.000 0.762 742 G HN 0.624 nan 8.290 nan 0.000 0.641 743 G N 0.023 108.868 108.800 0.075 0.000 2.569 743 G HA2 0.508 4.467 3.960 -0.000 0.000 0.259 743 G HA3 0.508 4.467 3.960 -0.000 0.000 0.259 743 G C 1.158 176.120 174.900 0.103 0.000 1.263 743 G CA 1.118 46.262 45.100 0.074 0.000 0.928 743 G HN 2.897 nan 8.290 nan 0.000 0.572 744 G N -1.916 106.952 108.800 0.114 0.000 2.695 744 G HA2 0.794 4.754 3.960 -0.000 0.000 0.290 744 G HA3 0.794 4.754 3.960 -0.000 0.000 0.290 744 G C -1.382 173.632 174.900 0.190 0.000 1.410 744 G CA 0.369 45.570 45.100 0.169 0.000 0.844 744 G HN 0.721 nan 8.290 nan 0.000 0.478 745 P HA -0.060 nan 4.420 nan 0.000 0.221 745 P C 0.834 178.155 177.300 0.035 0.000 1.145 745 P CA 0.950 64.124 63.100 0.122 0.000 0.795 745 P CB 0.112 31.863 31.700 0.086 0.000 0.775 746 F N -0.039 119.928 119.950 0.029 0.000 2.789 746 F HA 0.113 4.640 4.527 -0.000 0.000 0.300 746 F C 0.964 176.760 175.800 -0.006 0.000 1.132 746 F CA -0.277 57.730 58.000 0.011 0.000 1.404 746 F CB -0.836 38.169 39.000 0.009 0.000 1.114 746 F HN -0.191 nan 8.300 nan 0.000 0.584 747 D N 0.829 121.317 120.400 0.147 0.000 2.443 747 D HA 0.228 4.868 4.640 -0.000 0.000 0.239 747 D C 0.492 176.785 176.300 -0.012 0.000 1.136 747 D CA 0.434 54.464 54.000 0.050 0.000 0.879 747 D CB 0.919 41.726 40.800 0.012 0.000 1.195 747 D HN 0.172 nan 8.370 nan 0.000 0.443 748 S N -0.488 115.188 115.700 -0.040 0.000 2.607 748 S HA 0.736 5.206 4.470 -0.000 0.000 0.273 748 S C 0.494 175.036 174.600 -0.097 0.000 1.148 748 S CA -0.130 58.025 58.200 -0.074 0.000 0.833 748 S CB 1.867 65.043 63.200 -0.039 0.000 1.130 748 S HN 0.771 nan 8.310 nan 0.000 0.470 749 G N 1.921 110.653 108.800 -0.113 0.000 2.596 749 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.295 749 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.295 749 G C 0.259 175.082 174.900 -0.129 0.000 1.240 749 G CA 0.842 45.882 45.100 -0.100 0.000 0.985 749 G HN 0.833 nan 8.290 nan 0.000 0.555 750 D N 0.745 121.097 120.400 -0.081 0.000 2.182 750 D HA 0.023 4.663 4.640 -0.000 0.000 0.201 750 D C 2.744 178.996 176.300 -0.081 0.000 0.986 750 D CA 2.015 55.972 54.000 -0.072 0.000 0.847 750 D CB -0.767 40.010 40.800 -0.038 0.000 0.942 750 D HN 0.831 nan 8.370 nan 0.000 0.467 751 A N 0.794 123.568 122.820 -0.076 0.000 1.978 751 A HA -0.155 4.165 4.320 -0.000 0.000 0.220 751 A C 2.356 179.884 177.584 -0.094 0.000 1.170 751 A CA 0.848 52.848 52.037 -0.061 0.000 0.636 751 A CB -0.752 18.224 19.000 -0.040 0.000 0.810 751 A HN 0.237 nan 8.150 nan 0.000 0.448 752 L N -1.459 119.650 121.223 -0.190 0.000 2.127 752 L HA -0.182 4.158 4.340 -0.000 0.000 0.211 752 L C 2.779 179.524 176.870 -0.207 0.000 1.089 752 L CA 1.899 56.550 54.840 -0.315 0.000 0.757 752 L CB -0.350 41.241 42.059 -0.779 0.000 0.899 752 L HN 0.497 nan 8.230 nan 0.000 0.434 753 R N -0.443 119.973 120.500 -0.140 0.000 2.128 753 R HA -0.051 4.288 4.340 -0.000 0.000 0.211 753 R C 2.272 178.570 176.300 -0.004 0.000 1.067 753 R CA 0.490 56.575 56.100 -0.024 0.000 1.010 753 R CB 0.078 30.378 30.300 0.001 0.000 0.922 753 R HN 0.341 nan 8.270 nan 0.000 0.457 754 Q N 0.365 120.154 119.800 -0.018 0.000 2.124 754 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 754 Q C 0.020 176.027 176.000 0.011 0.000 0.977 754 Q CA 0.872 56.674 55.803 -0.001 0.000 0.850 754 Q CB -0.014 28.719 28.738 -0.007 0.000 0.901 754 Q HN 0.244 nan 8.270 nan 0.000 0.429 755 N N 2.382 121.086 118.700 0.007 0.000 3.050 755 N HA 0.054 4.793 4.740 -0.000 0.000 0.289 755 N C -0.719 174.814 175.510 0.039 0.000 1.209 755 N CA 0.313 53.377 53.050 0.025 0.000 1.154 755 N CB 0.254 38.755 38.487 0.024 0.000 1.444 755 N HN 0.295 nan 8.380 nan 0.000 0.529 756 Q N -0.213 119.613 119.800 0.044 0.000 2.454 756 Q HA 0.414 4.754 4.340 -0.000 0.000 0.247 756 Q C 0.869 176.906 176.000 0.061 0.000 1.028 756 Q CA -0.096 55.739 55.803 0.053 0.000 0.910 756 Q CB 0.864 29.636 28.738 0.057 0.000 1.276 756 Q HN 0.477 nan 8.270 nan 0.000 0.489 757 G N -0.714 108.126 108.800 0.067 0.000 2.788 757 G HA2 0.353 4.313 3.960 -0.000 0.000 0.293 757 G HA3 0.353 4.313 3.960 -0.000 0.000 0.293 757 G C 0.523 175.475 174.900 0.086 0.000 1.305 757 G CA -0.712 44.429 45.100 0.069 0.000 1.005 757 G HN 0.456 nan 8.290 nan 0.000 0.496 758 V N 0.762 120.723 119.914 0.078 0.000 2.392 758 V HA -0.088 4.032 4.120 -0.000 0.000 0.249 758 V C 2.895 179.085 176.094 0.160 0.000 1.059 758 V CA 2.519 64.876 62.300 0.096 0.000 1.051 758 V CB -0.722 31.136 31.823 0.058 0.000 0.658 758 V HN 0.832 nan 8.190 nan 0.000 0.455 759 G N -0.301 108.578 108.800 0.131 0.000 2.598 759 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.215 759 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.215 759 G C 1.293 176.257 174.900 0.106 0.000 1.131 759 G CA 0.960 46.150 45.100 0.149 0.000 0.785 759 G HN 0.673 nan 8.290 nan 0.000 0.539 760 S N -1.381 114.373 115.700 0.090 0.000 2.663 760 S HA 0.459 4.929 4.470 -0.000 0.000 0.243 760 S C 1.305 175.965 174.600 0.100 0.000 1.009 760 S CA 0.565 58.771 58.200 0.010 0.000 0.988 760 S CB 0.426 63.620 63.200 -0.010 0.000 0.896 760 S HN 1.315 nan 8.310 nan 0.000 0.502 761 G N 1.109 110.084 108.800 0.293 0.000 2.132 761 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.228 761 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.228 761 G C 0.314 175.325 174.900 0.184 0.000 1.000 761 G CA -0.324 44.988 45.100 0.353 0.000 0.693 761 G HN 1.392 nan 8.290 nan 0.000 0.515 762 A N -0.418 122.482 122.820 0.133 0.000 2.573 762 A HA 0.544 4.864 4.320 -0.000 0.000 0.250 762 A C 2.284 179.915 177.584 0.078 0.000 1.049 762 A CA 2.326 54.416 52.037 0.090 0.000 0.767 762 A CB -0.305 18.741 19.000 0.076 0.000 0.965 762 A HN 2.504 nan 8.150 nan 0.000 0.514 763 G N 0.936 109.775 108.800 0.065 0.000 2.779 763 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.230 763 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.230 763 G C 1.338 176.268 174.900 0.050 0.000 1.243 763 G CA 1.166 46.296 45.100 0.050 0.000 0.769 763 G HN 2.148 nan 8.290 nan 0.000 0.516 764 V N -1.980 117.969 119.914 0.059 0.000 2.788 764 V HA 0.650 4.770 4.120 -0.000 0.000 0.251 764 V C 1.253 177.402 176.094 0.092 0.000 1.068 764 V CA 1.969 64.299 62.300 0.050 0.000 1.090 764 V CB 0.554 32.378 31.823 0.003 0.000 0.710 764 V HN 0.972 nan 8.190 nan 0.000 0.467 765 L N 2.819 124.124 121.223 0.138 0.000 2.511 765 L HA 0.570 4.910 4.340 -0.000 0.000 0.252 765 L C -2.683 174.255 176.870 0.113 0.000 1.542 765 L CA -1.930 53.004 54.840 0.156 0.000 0.822 765 L CB 1.375 43.602 42.059 0.280 0.000 1.050 765 L HN 0.087 nan 8.230 nan 0.000 0.516 766 P HA 0.148 nan 4.420 nan 0.000 0.268 766 P C -0.588 176.741 177.300 0.050 0.000 1.205 766 P CA -0.017 63.119 63.100 0.060 0.000 0.771 766 P CB 0.775 32.504 31.700 0.048 0.000 0.858 767 N N 1.402 120.127 118.700 0.041 0.000 2.418 767 N HA 0.018 4.758 4.740 -0.000 0.000 0.283 767 N C 1.102 176.629 175.510 0.029 0.000 1.267 767 N CA -0.477 52.593 53.050 0.033 0.000 0.975 767 N CB -0.057 38.448 38.487 0.030 0.000 1.167 767 N HN 0.396 nan 8.380 nan 0.000 0.581 768 E N -0.319 119.897 120.200 0.026 0.000 2.418 768 E HA -0.077 4.273 4.350 -0.000 0.000 0.197 768 E C 0.959 177.570 176.600 0.018 0.000 1.026 768 E CA 0.918 57.332 56.400 0.022 0.000 0.862 768 E CB -0.404 29.309 29.700 0.021 0.000 0.799 768 E HN 0.716 nan 8.360 nan 0.000 0.518 769 L N 0.324 121.557 121.223 0.017 0.000 2.425 769 L HA 0.150 4.489 4.340 -0.000 0.000 0.215 769 L C 1.593 178.470 176.870 0.012 0.000 1.065 769 L CA 0.169 55.016 54.840 0.012 0.000 0.842 769 L CB -0.133 41.930 42.059 0.007 0.000 1.033 769 L HN -0.054 nan 8.230 nan 0.000 0.474 770 T N -0.631 113.932 114.554 0.016 0.000 2.908 770 T HA -0.095 4.255 4.350 -0.000 0.000 0.325 770 T C 0.934 175.644 174.700 0.017 0.000 1.092 770 T CA 0.942 63.053 62.100 0.018 0.000 1.125 770 T CB 0.752 69.636 68.868 0.027 0.000 1.016 770 T HN 0.167 nan 8.240 nan 0.000 0.550 771 T N 4.088 118.651 114.554 0.016 0.000 3.111 771 T HA 0.309 4.659 4.350 -0.000 0.000 0.284 771 T C 0.506 175.216 174.700 0.017 0.000 0.983 771 T CA -0.408 61.701 62.100 0.014 0.000 0.900 771 T CB -0.282 68.591 68.868 0.008 0.000 1.132 771 T HN 0.517 nan 8.240 nan 0.000 0.531 772 L N 3.684 124.921 121.223 0.023 0.000 2.578 772 L HA 0.202 4.542 4.340 -0.000 0.000 0.279 772 L C 1.014 177.900 176.870 0.027 0.000 1.227 772 L CA -0.239 54.618 54.840 0.029 0.000 0.900 772 L CB 0.454 42.536 42.059 0.038 0.000 1.144 772 L HN 0.383 nan 8.230 nan 0.000 0.496 773 S N 1.017 116.732 115.700 0.025 0.000 2.693 773 S HA 0.198 4.668 4.470 -0.000 0.000 0.276 773 S C 0.617 175.234 174.600 0.028 0.000 1.192 773 S CA -0.957 57.257 58.200 0.022 0.000 0.994 773 S CB 1.412 64.621 63.200 0.015 0.000 1.012 773 S HN 0.587 nan 8.310 nan 0.000 0.550 774 D N 0.522 120.936 120.400 0.024 0.000 2.219 774 D HA -0.102 4.537 4.640 -0.000 0.000 0.205 774 D C 1.248 177.566 176.300 0.030 0.000 0.970 774 D CA 1.434 55.449 54.000 0.025 0.000 0.851 774 D CB -0.340 40.470 40.800 0.018 0.000 0.943 774 D HN 0.826 nan 8.370 nan 0.000 0.488 775 D N 0.540 120.956 120.400 0.027 0.000 2.149 775 D HA -0.106 4.533 4.640 -0.000 0.000 0.201 775 D C 1.958 178.292 176.300 0.057 0.000 0.972 775 D CA 0.843 54.862 54.000 0.032 0.000 0.835 775 D CB 0.210 41.019 40.800 0.014 0.000 0.966 775 D HN 0.078 nan 8.370 nan 0.000 0.476 776 Q N -0.238 119.593 119.800 0.053 0.000 2.119 776 Q HA -0.028 4.312 4.340 -0.000 0.000 0.201 776 Q C 2.201 178.265 176.000 0.108 0.000 0.972 776 Q CA 1.191 57.043 55.803 0.082 0.000 0.847 776 Q CB -0.071 28.701 28.738 0.055 0.000 0.903 776 Q HN 0.362 nan 8.270 nan 0.000 0.433 777 A N 1.236 124.099 122.820 0.072 0.000 1.898 777 A HA -0.142 4.177 4.320 -0.000 0.000 0.216 777 A C 1.954 179.570 177.584 0.053 0.000 1.181 777 A CA 0.991 53.064 52.037 0.061 0.000 0.620 777 A CB -0.257 18.772 19.000 0.047 0.000 0.819 777 A HN 0.176 nan 8.150 nan 0.000 0.442 778 R N -1.640 118.893 120.500 0.056 0.000 2.148 778 R HA -0.110 4.230 4.340 -0.000 0.000 0.227 778 R C 2.108 178.443 176.300 0.059 0.000 1.103 778 R CA 1.324 57.449 56.100 0.042 0.000 0.983 778 R CB -0.399 29.923 30.300 0.037 0.000 0.874 778 R HN 0.796 nan 8.270 nan 0.000 0.451 779 H N 1.063 120.135 119.070 0.004 0.000 2.395 779 H HA 0.013 4.569 4.556 -0.000 0.000 0.299 779 H C 1.812 177.146 175.328 0.010 0.000 1.070 779 H CA 1.342 57.394 56.048 0.007 0.000 1.356 779 H CB -0.099 29.673 29.762 0.017 0.000 1.401 779 H HN 0.039 nan 8.280 nan 0.000 0.524 780 L N -0.310 120.864 121.223 -0.082 0.000 2.083 780 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 780 L C 2.761 179.555 176.870 -0.127 0.000 1.083 780 L CA 0.988 55.754 54.840 -0.123 0.000 0.752 780 L CB -0.710 41.345 42.059 -0.008 0.000 0.899 780 L HN 0.417 nan 8.230 nan 0.000 0.433 781 A N -0.306 122.464 122.820 -0.083 0.000 1.969 781 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 781 A C 1.900 179.396 177.584 -0.147 0.000 1.169 781 A CA 1.722 53.708 52.037 -0.085 0.000 0.635 781 A CB -0.374 18.596 19.000 -0.049 0.000 0.810 781 A HN 0.319 nan 8.150 nan 0.000 0.445 782 D N 0.097 120.401 120.400 -0.160 0.000 2.097 782 D HA -0.092 4.548 4.640 -0.000 0.000 0.197 782 D C 1.940 178.108 176.300 -0.220 0.000 0.984 782 D CA 0.993 54.885 54.000 -0.179 0.000 0.826 782 D CB -0.318 40.417 40.800 -0.108 0.000 0.973 782 D HN 0.430 nan 8.370 nan 0.000 0.460 783 L N 0.557 121.622 121.223 -0.263 0.000 2.083 783 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 783 L C 2.451 179.207 176.870 -0.189 0.000 1.083 783 L CA 1.106 55.810 54.840 -0.228 0.000 0.752 783 L CB -0.501 41.413 42.059 -0.243 0.000 0.899 783 L HN 0.041 nan 8.230 nan 0.000 0.433 784 T N -0.954 113.500 114.554 -0.167 0.000 2.737 784 T HA -0.151 4.199 4.350 -0.000 0.000 0.265 784 T C 2.041 176.648 174.700 -0.154 0.000 1.038 784 T CA 1.054 63.079 62.100 -0.125 0.000 1.144 784 T CB -0.136 68.686 68.868 -0.078 0.000 0.866 784 T HN 0.260 nan 8.240 nan 0.000 0.434 785 R N 0.322 120.666 120.500 -0.261 0.000 2.081 785 R HA -0.025 4.315 4.340 -0.000 0.000 0.235 785 R C 2.433 178.471 176.300 -0.438 0.000 1.131 785 R CA 1.059 56.855 56.100 -0.507 0.000 0.960 785 R CB -0.678 29.011 30.300 -1.019 0.000 0.856 785 R HN 0.228 nan 8.270 nan 0.000 0.436 786 L N 0.515 121.533 121.223 -0.342 0.000 2.042 786 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 786 L C 2.078 178.804 176.870 -0.240 0.000 1.076 786 L CA 2.192 56.876 54.840 -0.260 0.000 0.749 786 L CB -0.947 41.013 42.059 -0.164 0.000 0.893 786 L HN 0.191 nan 8.230 nan 0.000 0.432 787 G N -0.944 107.742 108.800 -0.189 0.000 2.408 787 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 787 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 787 G C 1.528 176.365 174.900 -0.105 0.000 1.150 787 G CA 0.849 45.859 45.100 -0.151 0.000 0.776 787 G HN 0.429 nan 8.290 nan 0.000 0.542 788 M N 0.749 120.316 119.600 -0.055 0.000 2.460 788 M HA 0.089 4.569 4.480 -0.000 0.000 0.263 788 M C 2.366 178.660 176.300 -0.009 0.000 1.071 788 M CA 0.938 56.253 55.300 0.025 0.000 1.096 788 M CB 0.161 32.848 32.600 0.146 0.000 1.408 788 M HN 0.293 nan 8.290 nan 0.000 0.463 789 A N -0.421 122.324 122.820 -0.125 0.000 2.379 789 A HA 0.502 4.822 4.320 -0.000 0.000 0.236 789 A C 1.435 178.833 177.584 -0.311 0.000 1.272 789 A CA 0.492 52.324 52.037 -0.342 0.000 0.886 789 A CB -0.471 17.943 19.000 -0.977 0.000 0.962 789 A HN 0.599 nan 8.150 nan 0.000 0.504 790 G N -0.193 108.489 108.800 -0.196 0.000 2.157 790 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.239 790 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.239 790 G C 0.323 175.096 174.900 -0.212 0.000 0.982 790 G CA 0.392 45.394 45.100 -0.162 0.000 0.650 790 G HN 1.276 nan 8.290 nan 0.000 0.527 791 N N -0.962 117.590 118.700 -0.247 0.000 2.714 791 N HA -0.163 4.577 4.740 -0.000 0.000 0.252 791 N C 0.317 175.644 175.510 -0.305 0.000 1.014 791 N CA 1.282 54.153 53.050 -0.299 0.000 0.735 791 N CB -1.200 37.044 38.487 -0.404 0.000 0.924 791 N HN 0.822 nan 8.380 nan 0.000 0.540 792 L N -0.314 120.813 121.223 -0.160 0.000 2.371 792 L HA 0.410 4.750 4.340 -0.000 0.000 0.272 792 L C 1.773 178.643 176.870 -0.001 0.000 1.124 792 L CA -0.009 54.796 54.840 -0.059 0.000 0.816 792 L CB 0.805 42.899 42.059 0.059 0.000 1.129 792 L HN 0.271 nan 8.230 nan 0.000 0.448 793 A N 1.251 124.077 122.820 0.008 0.000 1.930 793 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 793 A C 1.300 178.924 177.584 0.066 0.000 1.175 793 A CA 1.254 53.315 52.037 0.041 0.000 0.627 793 A CB -0.232 18.801 19.000 0.055 0.000 0.815 793 A HN 0.821 nan 8.150 nan 0.000 0.443 794 D N -1.819 118.628 120.400 0.078 0.000 2.340 794 D HA 0.189 4.829 4.640 -0.000 0.000 0.217 794 D C -0.116 176.238 176.300 0.089 0.000 1.081 794 D CA -0.269 53.773 54.000 0.069 0.000 0.842 794 D CB -0.176 40.654 40.800 0.049 0.000 0.934 794 D HN 0.395 nan 8.370 nan 0.000 0.511 795 F N 1.517 121.469 119.950 0.003 0.000 2.484 795 F HA 0.150 4.676 4.527 -0.000 0.000 0.360 795 F C 0.072 175.885 175.800 0.022 0.000 1.101 795 F CA -0.348 57.663 58.000 0.018 0.000 1.251 795 F CB 0.710 39.725 39.000 0.024 0.000 1.132 795 F HN -0.341 nan 8.300 nan 0.000 0.570 796 V N 7.543 127.060 119.914 -0.661 0.000 2.370 796 V HA 0.440 4.560 4.120 -0.000 0.000 0.279 796 V C -0.451 175.404 176.094 -0.398 0.000 1.029 796 V CA -0.577 61.489 62.300 -0.389 0.000 0.870 796 V CB 0.848 32.500 31.823 -0.285 0.000 0.984 796 V HN 0.681 nan 8.190 nan 0.000 0.451 797 L N 4.046 125.227 121.223 -0.070 0.000 2.341 797 L HA 0.756 5.096 4.340 -0.000 0.000 0.254 797 L C -0.867 176.019 176.870 0.027 0.000 1.040 797 L CA -0.956 53.917 54.840 0.054 0.000 0.837 797 L CB 1.395 43.570 42.059 0.193 0.000 1.425 797 L HN 0.212 nan 8.230 nan 0.000 0.414 798 I N 2.611 123.204 120.570 0.039 0.000 2.304 798 I HA 0.291 4.461 4.170 -0.000 0.000 0.291 798 I C -0.102 176.022 176.117 0.012 0.000 1.018 798 I CA -0.061 61.251 61.300 0.021 0.000 1.260 798 I CB 0.564 38.579 38.000 0.026 0.000 1.390 798 I HN 0.913 nan 8.210 nan 0.000 0.475 799 D N 6.948 127.356 120.400 0.013 0.000 2.414 799 D HA 0.054 4.694 4.640 -0.000 0.000 0.259 799 D C 1.058 177.368 176.300 0.016 0.000 1.269 799 D CA -0.412 53.597 54.000 0.015 0.000 1.028 799 D CB 0.661 41.482 40.800 0.035 0.000 1.093 799 D HN 0.563 nan 8.370 nan 0.000 0.545 800 K N -0.927 119.490 120.400 0.028 0.000 2.286 800 K HA -0.168 4.152 4.320 -0.000 0.000 0.203 800 K C 0.045 176.657 176.600 0.020 0.000 1.045 800 K CA 1.399 57.702 56.287 0.027 0.000 0.935 800 K CB -0.213 32.317 32.500 0.050 0.000 0.737 800 K HN 0.280 nan 8.250 nan 0.000 0.460 801 D N 0.083 120.494 120.400 0.019 0.000 2.402 801 D HA 0.096 4.736 4.640 -0.000 0.000 0.216 801 D C 0.764 177.069 176.300 0.008 0.000 1.128 801 D CA 0.627 54.634 54.000 0.011 0.000 0.833 801 D CB 0.933 41.738 40.800 0.009 0.000 0.971 801 D HN 0.497 nan 8.370 nan 0.000 0.503 802 G N 1.138 109.943 108.800 0.009 0.000 2.162 802 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.260 802 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.260 802 G C 0.553 175.456 174.900 0.005 0.000 0.976 802 G CA 0.221 45.324 45.100 0.006 0.000 0.655 802 G HN 0.583 nan 8.290 nan 0.000 0.533 803 A N -0.168 122.656 122.820 0.007 0.000 2.354 803 A HA 0.698 5.018 4.320 -0.000 0.000 0.269 803 A C 0.611 178.199 177.584 0.006 0.000 1.109 803 A CA 0.063 52.103 52.037 0.006 0.000 0.800 803 A CB 1.116 20.120 19.000 0.008 0.000 1.045 803 A HN 1.124 nan 8.150 nan 0.000 0.489 804 V N 4.429 124.343 119.914 -0.000 0.000 2.439 804 V HA 0.237 4.356 4.120 -0.000 0.000 0.271 804 V C 0.139 176.232 176.094 -0.002 0.000 1.040 804 V CA 0.136 62.433 62.300 -0.006 0.000 1.002 804 V CB 0.147 31.961 31.823 -0.014 0.000 1.000 804 V HN 0.804 nan 8.190 nan 0.000 0.477 805 K N 4.736 125.138 120.400 0.003 0.000 2.426 805 K HA 0.598 4.918 4.320 -0.000 0.000 0.251 805 K C -0.512 176.098 176.600 0.016 0.000 0.941 805 K CA -0.883 55.413 56.287 0.014 0.000 0.808 805 K CB 2.846 35.364 32.500 0.030 0.000 1.265 805 K HN 0.518 nan 8.250 nan 0.000 0.432 806 R N -0.384 120.130 120.500 0.023 0.000 2.532 806 R HA 0.256 4.595 4.340 -0.000 0.000 0.272 806 R C 1.578 177.919 176.300 0.067 0.000 1.032 806 R CA -0.035 56.086 56.100 0.035 0.000 1.089 806 R CB 0.657 30.973 30.300 0.027 0.000 1.098 806 R HN 0.878 nan 8.270 nan 0.000 0.526 807 G N 0.291 109.153 108.800 0.103 0.000 2.469 807 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.219 807 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.219 807 G C 1.364 176.298 174.900 0.056 0.000 1.150 807 G CA 1.319 46.471 45.100 0.086 0.000 0.763 807 G HN 0.666 nan 8.290 nan 0.000 0.561 808 S N 0.303 116.037 115.700 0.057 0.000 2.469 808 S HA -0.026 4.444 4.470 -0.000 0.000 0.238 808 S C 1.831 176.468 174.600 0.061 0.000 0.998 808 S CA 1.496 59.733 58.200 0.060 0.000 0.957 808 S CB -0.171 63.063 63.200 0.057 0.000 0.764 808 S HN 0.623 nan 8.310 nan 0.000 0.514 809 E N 0.339 120.573 120.200 0.056 0.000 2.385 809 E HA 0.156 4.506 4.350 -0.000 0.000 0.194 809 E C -0.192 176.451 176.600 0.071 0.000 1.013 809 E CA -0.046 56.386 56.400 0.054 0.000 0.866 809 E CB 0.078 29.803 29.700 0.041 0.000 0.832 809 E HN 0.466 nan 8.360 nan 0.000 0.500 810 I N 2.880 123.499 120.570 0.083 0.000 2.436 810 I HA 0.023 4.193 4.170 -0.000 0.000 0.289 810 I C 0.254 176.472 176.117 0.168 0.000 1.083 810 I CA -0.258 61.114 61.300 0.120 0.000 1.372 810 I CB -0.152 37.895 38.000 0.078 0.000 1.408 810 I HN -0.050 nan 8.210 nan 0.000 0.516 811 D N 6.175 126.702 120.400 0.212 0.000 2.414 811 D HA 0.014 4.654 4.640 -0.000 0.000 0.242 811 D C -0.920 175.582 176.300 0.337 0.000 1.129 811 D CA 0.341 54.464 54.000 0.205 0.000 0.885 811 D CB 0.482 41.336 40.800 0.090 0.000 1.198 811 D HN 0.359 nan 8.370 nan 0.000 0.437 812 Y N 4.067 124.437 120.300 0.116 0.000 2.594 812 Y HA 0.263 4.813 4.550 -0.000 0.000 0.338 812 Y C -0.449 175.495 175.900 0.073 0.000 1.019 812 Y CA -1.144 57.022 58.100 0.110 0.000 1.306 812 Y CB -0.198 38.306 38.460 0.074 0.000 1.094 812 Y HN 0.475 nan 8.280 nan 0.000 0.534 813 N N 4.104 122.667 118.700 -0.228 0.000 2.716 813 N HA -0.224 4.516 4.740 -0.000 0.000 0.250 813 N C 1.044 176.453 175.510 -0.168 0.000 1.033 813 N CA 1.803 54.690 53.050 -0.272 0.000 0.727 813 N CB -1.215 36.980 38.487 -0.486 0.000 0.950 813 N HN 1.368 nan 8.380 nan 0.000 0.541 814 G N -2.927 105.828 108.800 -0.075 0.000 2.176 814 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.232 814 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.232 814 G C 0.063 174.959 174.900 -0.006 0.000 0.986 814 G CA 0.557 45.632 45.100 -0.043 0.000 0.643 814 G HN 1.156 nan 8.290 nan 0.000 0.522 815 A N 0.565 123.403 122.820 0.030 0.000 2.380 815 A HA 0.904 5.224 4.320 -0.000 0.000 0.315 815 A C -2.578 175.088 177.584 0.136 0.000 1.101 815 A CA -1.527 50.559 52.037 0.081 0.000 0.771 815 A CB 1.848 20.912 19.000 0.107 0.000 1.287 815 A HN 0.174 nan 8.150 nan 0.000 0.436 816 P HA 0.072 nan 4.420 nan 0.000 0.266 816 P C 0.991 178.382 177.300 0.152 0.000 1.215 816 P CA 0.679 63.848 63.100 0.115 0.000 0.763 816 P CB 0.926 32.678 31.700 0.087 0.000 0.806 817 G N 4.127 113.013 108.800 0.143 0.000 2.587 817 G HA2 -0.148 3.811 3.960 -0.000 0.000 0.217 817 G HA3 -0.148 3.811 3.960 -0.000 0.000 0.217 817 G C 0.836 175.750 174.900 0.023 0.000 1.240 817 G CA 0.597 45.753 45.100 0.093 0.000 0.794 817 G HN 0.692 nan 8.290 nan 0.000 0.580 818 G N -0.543 108.250 108.800 -0.011 0.000 2.364 818 G HA2 0.400 4.360 3.960 -0.000 0.000 0.267 818 G HA3 0.400 4.360 3.960 -0.000 0.000 0.267 818 G C 0.149 175.036 174.900 -0.021 0.000 1.233 818 G CA 0.302 45.342 45.100 -0.099 0.000 0.885 818 G HN 0.640 nan 8.290 nan 0.000 0.490 819 Y N 0.561 120.840 120.300 -0.035 0.000 2.448 819 Y HA 0.664 5.214 4.550 -0.000 0.000 0.257 819 Y C 1.053 176.940 175.900 -0.022 0.000 1.089 819 Y CA -0.587 57.492 58.100 -0.035 0.000 1.245 819 Y CB -0.355 38.060 38.460 -0.076 0.000 1.282 819 Y HN 0.607 nan 8.280 nan 0.000 0.529 820 A N 1.173 123.895 122.820 -0.163 0.000 2.271 820 A HA 0.767 5.087 4.320 -0.000 0.000 0.288 820 A C 1.274 178.867 177.584 0.016 0.000 1.094 820 A CA 0.057 52.086 52.037 -0.013 0.000 0.828 820 A CB 0.624 19.532 19.000 -0.153 0.000 1.091 820 A HN 0.644 nan 8.150 nan 0.000 0.493 821 A N -0.101 122.750 122.820 0.051 0.000 2.014 821 A HA 0.317 4.637 4.320 -0.000 0.000 0.210 821 A C 0.377 177.987 177.584 0.043 0.000 1.188 821 A CA 0.720 52.789 52.037 0.052 0.000 0.731 821 A CB 0.134 19.174 19.000 0.066 0.000 0.858 821 A HN 0.744 nan 8.150 nan 0.000 0.464 822 D N -1.345 119.078 120.400 0.038 0.000 2.732 822 D HA 0.291 4.931 4.640 -0.000 0.000 0.229 822 D C -2.241 174.062 176.300 0.005 0.000 1.152 822 D CA -1.235 52.784 54.000 0.031 0.000 0.854 822 D CB 1.983 42.813 40.800 0.051 0.000 1.590 822 D HN -0.113 nan 8.370 nan 0.000 0.468 823 P HA -0.128 nan 4.420 nan 0.000 0.225 823 P C 1.042 178.324 177.300 -0.030 0.000 1.148 823 P CA 1.136 64.212 63.100 -0.039 0.000 0.779 823 P CB 0.006 31.682 31.700 -0.041 0.000 0.780 824 T N -3.369 111.181 114.554 -0.006 0.000 3.118 824 T HA 0.051 4.401 4.350 -0.000 0.000 0.260 824 T C 1.382 176.127 174.700 0.075 0.000 1.139 824 T CA 0.496 62.591 62.100 -0.009 0.000 1.085 824 T CB -0.548 68.320 68.868 0.000 0.000 0.934 824 T HN 0.234 nan 8.240 nan 0.000 0.518 825 E N 0.392 120.639 120.200 0.079 0.000 2.474 825 E HA 0.251 4.601 4.350 -0.000 0.000 0.195 825 E C -0.526 176.155 176.600 0.135 0.000 1.039 825 E CA -0.161 56.315 56.400 0.128 0.000 0.881 825 E CB 0.704 30.478 29.700 0.124 0.000 0.970 825 E HN 0.303 nan 8.360 nan 0.000 0.486 826 V N 1.563 121.510 119.914 0.055 0.000 2.531 826 V HA 0.226 4.346 4.120 -0.000 0.000 0.301 826 V C -0.449 175.648 176.094 0.006 0.000 1.034 826 V CA -0.802 61.522 62.300 0.040 0.000 0.865 826 V CB 2.131 33.901 31.823 -0.087 0.000 0.995 826 V HN -0.185 nan 8.190 nan 0.000 0.424 827 V N 5.293 125.221 119.914 0.024 0.000 2.334 827 V HA 0.445 4.565 4.120 -0.000 0.000 0.281 827 V C 0.031 176.249 176.094 0.207 0.000 1.016 827 V CA -0.786 61.489 62.300 -0.042 0.000 0.832 827 V CB 1.431 32.983 31.823 -0.451 0.000 0.999 827 V HN 0.813 nan 8.190 nan 0.000 0.439 828 N N 4.104 122.934 118.700 0.218 0.000 2.515 828 N HA 0.635 5.374 4.740 -0.000 0.000 0.279 828 N C -0.885 174.931 175.510 0.509 0.000 1.164 828 N CA -0.112 53.112 53.050 0.291 0.000 0.982 828 N CB 1.914 40.479 38.487 0.130 0.000 1.170 828 N HN 0.761 nan 8.380 nan 0.000 0.474 829 Y N -3.184 117.262 120.300 0.244 0.000 2.638 829 Y HA 0.355 4.904 4.550 -0.000 0.000 0.334 829 Y C -0.360 175.680 175.900 0.234 0.000 1.182 829 Y CA -1.113 57.178 58.100 0.318 0.000 1.102 829 Y CB 0.174 38.945 38.460 0.518 0.000 1.343 829 Y HN 0.107 nan 8.280 nan 0.000 0.463 830 V N -1.550 118.491 119.914 0.210 0.000 3.330 830 V HA 0.575 4.695 4.120 -0.000 0.000 0.309 830 V C -0.017 176.195 176.094 0.196 0.000 1.481 830 V CA 0.561 62.910 62.300 0.080 0.000 1.068 830 V CB 0.247 32.127 31.823 0.096 0.000 0.935 830 V HN 0.804 nan 8.190 nan 0.000 0.453 831 S N 0.190 116.126 115.700 0.393 0.000 2.537 831 S HA 0.739 5.209 4.470 -0.000 0.000 0.271 831 S C -1.163 173.730 174.600 0.488 0.000 1.148 831 S CA -0.563 57.852 58.200 0.359 0.000 0.868 831 S CB 2.432 65.785 63.200 0.256 0.000 1.115 831 S HN 0.626 nan 8.310 nan 0.000 0.461 832 K N 0.759 121.355 120.400 0.328 0.000 2.571 832 K HA 0.376 4.696 4.320 -0.000 0.000 0.289 832 K C 1.134 177.765 176.600 0.051 0.000 1.028 832 K CA -0.679 55.755 56.287 0.246 0.000 0.895 832 K CB 0.446 32.979 32.500 0.054 0.000 1.534 832 K HN 0.824 nan 8.250 nan 0.000 0.421 833 H N -0.234 118.806 119.070 -0.051 0.000 2.352 833 H HA -0.102 4.454 4.556 -0.000 0.000 0.299 833 H C -0.318 174.929 175.328 -0.134 0.000 1.097 833 H CA 1.391 57.310 56.048 -0.215 0.000 1.311 833 H CB -0.363 29.019 29.762 -0.633 0.000 1.377 833 H HN 0.598 nan 8.280 nan 0.000 0.504 834 D N 1.352 121.261 120.400 -0.818 0.000 2.264 834 D HA 0.145 4.785 4.640 -0.000 0.000 0.249 834 D C 0.055 176.346 176.300 -0.015 0.000 1.070 834 D CA -0.574 53.285 54.000 -0.234 0.000 0.912 834 D CB 0.854 41.414 40.800 -0.400 0.000 1.193 834 D HN 0.301 nan 8.370 nan 0.000 0.427 835 N N 0.302 119.075 118.700 0.121 0.000 6.033 835 N HA -0.163 4.577 4.740 -0.000 0.000 0.394 835 N C -0.811 174.801 175.510 0.169 0.000 1.156 835 N CA -0.065 53.057 53.050 0.120 0.000 2.206 835 N CB -0.479 38.058 38.487 0.083 0.000 0.665 835 N HN 0.582 nan 8.380 nan 0.000 0.591 836 Q N 0.737 120.650 119.800 0.188 0.000 2.386 836 Q HA 0.221 4.561 4.340 -0.000 0.000 0.282 836 Q C 0.799 176.914 176.000 0.191 0.000 1.050 836 Q CA 0.382 56.315 55.803 0.217 0.000 0.918 836 Q CB 0.261 29.176 28.738 0.296 0.000 1.266 836 Q HN 0.597 nan 8.270 nan 0.000 0.423 837 T N -0.748 113.912 114.554 0.178 0.000 2.802 837 T HA 0.042 4.392 4.350 -0.000 0.000 0.305 837 T C 0.989 175.792 174.700 0.173 0.000 1.053 837 T CA -0.710 61.491 62.100 0.169 0.000 1.058 837 T CB 0.450 69.410 68.868 0.153 0.000 0.988 837 T HN 0.538 nan 8.240 nan 0.000 0.539 838 L N 1.187 122.518 121.223 0.179 0.000 1.990 838 L HA -0.027 4.312 4.340 -0.000 0.000 0.213 838 L C 2.281 179.241 176.870 0.150 0.000 1.072 838 L CA 1.885 56.825 54.840 0.167 0.000 0.755 838 L CB -1.336 40.833 42.059 0.184 0.000 0.889 838 L HN 0.891 nan 8.230 nan 0.000 0.432 839 W N 0.561 121.864 121.300 0.005 0.000 2.342 839 W HA -0.257 4.403 4.660 -0.000 0.000 0.297 839 W C 1.785 178.259 176.519 -0.074 0.000 1.213 839 W CA 1.909 59.219 57.345 -0.058 0.000 1.251 839 W CB -0.168 29.225 29.460 -0.111 0.000 1.136 839 W HN 0.323 nan 8.180 nan 0.000 0.526 840 D N -0.157 120.244 120.400 0.001 0.000 2.183 840 D HA -0.172 4.468 4.640 -0.000 0.000 0.203 840 D C 2.258 178.562 176.300 0.007 0.000 0.969 840 D CA 1.249 55.158 54.000 -0.152 0.000 0.842 840 D CB -0.427 40.313 40.800 -0.100 0.000 0.957 840 D HN 0.106 nan 8.370 nan 0.000 0.484 841 M N -0.077 119.590 119.600 0.112 0.000 2.200 841 M HA 0.019 4.498 4.480 -0.000 0.000 0.265 841 M C 2.246 178.599 176.300 0.089 0.000 1.066 841 M CA 0.703 56.137 55.300 0.223 0.000 1.127 841 M CB -0.541 32.164 32.600 0.176 0.000 1.379 841 M HN 0.053 nan 8.290 nan 0.000 0.420 842 I N -0.394 120.112 120.570 -0.106 0.000 2.394 842 I HA -0.219 3.950 4.170 -0.000 0.000 0.251 842 I C 2.175 178.111 176.117 -0.303 0.000 1.136 842 I CA 0.780 61.942 61.300 -0.231 0.000 1.425 842 I CB -0.234 37.537 38.000 -0.381 0.000 1.079 842 I HN 0.204 nan 8.210 nan 0.000 0.425 843 S N -0.256 115.204 115.700 -0.400 0.000 2.406 843 S HA -0.133 4.336 4.470 -0.000 0.000 0.228 843 S C 1.854 176.506 174.600 0.086 0.000 1.020 843 S CA 1.002 59.041 58.200 -0.269 0.000 0.965 843 S CB -0.227 62.804 63.200 -0.282 0.000 0.798 843 S HN 0.343 nan 8.310 nan 0.000 0.488 844 Y N 1.784 122.169 120.300 0.142 0.000 2.263 844 Y HA 0.078 4.628 4.550 -0.000 0.000 0.292 844 Y C 2.140 178.052 175.900 0.019 0.000 1.130 844 Y CA 0.617 58.776 58.100 0.099 0.000 1.179 844 Y CB -0.065 38.459 38.460 0.107 0.000 0.998 844 Y HN 0.198 nan 8.280 nan 0.000 0.532 845 K N -0.591 119.906 120.400 0.161 0.000 2.308 845 K HA 0.324 4.644 4.320 -0.000 0.000 0.197 845 K C 0.867 177.474 176.600 0.012 0.000 1.049 845 K CA 0.409 56.738 56.287 0.070 0.000 0.991 845 K CB 0.132 32.667 32.500 0.058 0.000 0.836 845 K HN 0.008 nan 8.250 nan 0.000 0.500 846 A N 2.068 124.860 122.820 -0.046 0.000 2.540 846 A HA 0.367 4.687 4.320 -0.000 0.000 0.239 846 A C 0.317 177.879 177.584 -0.037 0.000 1.061 846 A CA -0.104 51.882 52.037 -0.085 0.000 0.758 846 A CB -0.045 18.846 19.000 -0.180 0.000 0.991 846 A HN 0.337 nan 8.150 nan 0.000 0.502 847 A N 1.538 124.345 122.820 -0.021 0.000 2.483 847 A HA 0.297 4.617 4.320 -0.000 0.000 0.238 847 A C 1.247 178.830 177.584 -0.003 0.000 1.070 847 A CA 0.549 52.590 52.037 0.006 0.000 0.770 847 A CB 0.068 19.086 19.000 0.029 0.000 1.008 847 A HN 1.079 nan 8.150 nan 0.000 0.497 848 Q N 0.923 120.731 119.800 0.012 0.000 2.152 848 Q HA -0.220 4.120 4.340 -0.000 0.000 0.206 848 Q C 1.714 177.720 176.000 0.011 0.000 0.985 848 Q CA 2.637 58.448 55.803 0.013 0.000 0.863 848 Q CB -0.161 28.590 28.738 0.023 0.000 0.904 848 Q HN 0.889 nan 8.270 nan 0.000 0.422 849 E N -0.540 119.670 120.200 0.018 0.000 2.482 849 E HA 0.021 4.371 4.350 -0.000 0.000 0.196 849 E C -0.325 176.284 176.600 0.015 0.000 1.047 849 E CA 0.616 57.030 56.400 0.023 0.000 0.869 849 E CB -0.242 29.480 29.700 0.037 0.000 0.836 849 E HN 0.325 nan 8.360 nan 0.000 0.520 850 A N 3.105 125.918 122.820 -0.011 0.000 2.395 850 A HA 0.147 4.467 4.320 -0.000 0.000 0.286 850 A C -0.194 177.357 177.584 -0.055 0.000 1.193 850 A CA -0.348 51.657 52.037 -0.054 0.000 0.852 850 A CB -0.162 18.759 19.000 -0.133 0.000 1.118 850 A HN 0.333 nan 8.150 nan 0.000 0.524 851 D N 2.110 122.494 120.400 -0.027 0.000 2.384 851 D HA 0.085 4.725 4.640 -0.000 0.000 0.244 851 D C 1.047 177.340 176.300 -0.011 0.000 1.251 851 D CA -0.688 53.307 54.000 -0.008 0.000 0.961 851 D CB 0.308 41.118 40.800 0.016 0.000 1.116 851 D HN 0.207 nan 8.370 nan 0.000 0.484 852 L N 0.161 121.396 121.223 0.020 0.000 2.043 852 L HA -0.163 4.176 4.340 -0.000 0.000 0.212 852 L C 1.632 178.544 176.870 0.070 0.000 1.075 852 L CA 2.291 57.168 54.840 0.060 0.000 0.752 852 L CB -1.203 40.887 42.059 0.051 0.000 0.891 852 L HN 0.706 nan 8.230 nan 0.000 0.432 853 D N -2.062 118.367 120.400 0.049 0.000 2.144 853 D HA -0.189 4.451 4.640 -0.000 0.000 0.199 853 D C 1.856 178.193 176.300 0.062 0.000 0.984 853 D CA 1.605 55.647 54.000 0.069 0.000 0.834 853 D CB 0.085 40.927 40.800 0.070 0.000 0.955 853 D HN 0.398 nan 8.370 nan 0.000 0.465 854 T N -0.557 113.989 114.554 -0.013 0.000 2.821 854 T HA -0.042 4.308 4.350 -0.000 0.000 0.267 854 T C 1.908 176.453 174.700 -0.258 0.000 1.046 854 T CA 0.706 62.711 62.100 -0.159 0.000 1.139 854 T CB -0.087 68.644 68.868 -0.229 0.000 0.871 854 T HN 0.175 nan 8.240 nan 0.000 0.454 855 R N 0.458 120.874 120.500 -0.141 0.000 2.115 855 R HA 0.013 4.353 4.340 -0.000 0.000 0.230 855 R C 2.415 178.777 176.300 0.102 0.000 1.111 855 R CA 0.755 56.770 56.100 -0.142 0.000 0.976 855 R CB -0.527 29.663 30.300 -0.184 0.000 0.870 855 R HN 0.252 nan 8.270 nan 0.000 0.445 856 V N 0.993 121.040 119.914 0.221 0.000 2.358 856 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 856 V C 2.226 178.476 176.094 0.259 0.000 1.047 856 V CA 1.669 64.144 62.300 0.293 0.000 1.035 856 V CB -0.448 31.509 31.823 0.222 0.000 0.658 856 V HN 0.277 nan 8.190 nan 0.000 0.452 857 R N -0.625 119.977 120.500 0.169 0.000 2.115 857 R HA -0.057 4.282 4.340 -0.000 0.000 0.230 857 R C 2.317 178.630 176.300 0.023 0.000 1.111 857 R CA 1.399 57.548 56.100 0.083 0.000 0.976 857 R CB -0.326 30.035 30.300 0.102 0.000 0.870 857 R HN 0.459 nan 8.270 nan 0.000 0.445 858 M N 0.040 119.572 119.600 -0.113 0.000 2.159 858 M HA -0.207 4.272 4.480 -0.000 0.000 0.263 858 M C 2.401 178.711 176.300 0.016 0.000 1.063 858 M CA 1.616 56.822 55.300 -0.156 0.000 1.110 858 M CB -0.193 32.183 32.600 -0.374 0.000 1.374 858 M HN 0.085 nan 8.290 nan 0.000 0.411 859 Q N 0.639 120.492 119.800 0.088 0.000 2.084 859 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 859 Q C 1.987 178.086 176.000 0.165 0.000 0.978 859 Q CA 2.243 58.148 55.803 0.171 0.000 0.844 859 Q CB -0.169 28.744 28.738 0.291 0.000 0.898 859 Q HN 0.484 nan 8.270 nan 0.000 0.426 860 A N -0.532 122.379 122.820 0.151 0.000 1.930 860 A HA -0.103 4.216 4.320 -0.000 0.000 0.217 860 A C 2.247 179.846 177.584 0.025 0.000 1.175 860 A CA 1.478 53.566 52.037 0.085 0.000 0.627 860 A CB -0.714 18.238 19.000 -0.080 0.000 0.815 860 A HN 0.301 nan 8.150 nan 0.000 0.443 861 V N -0.145 119.796 119.914 0.045 0.000 2.427 861 V HA -0.191 3.928 4.120 -0.000 0.000 0.248 861 V C 2.779 178.923 176.094 0.084 0.000 1.051 861 V CA 2.219 64.565 62.300 0.077 0.000 1.048 861 V CB -0.596 31.345 31.823 0.195 0.000 0.666 861 V HN 0.565 nan 8.190 nan 0.000 0.456 862 S N 0.133 115.891 115.700 0.096 0.000 2.356 862 S HA -0.107 4.363 4.470 -0.000 0.000 0.223 862 S C 1.873 176.521 174.600 0.081 0.000 1.032 862 S CA 1.455 59.709 58.200 0.090 0.000 1.005 862 S CB -0.330 62.928 63.200 0.096 0.000 0.867 862 S HN 0.469 nan 8.310 nan 0.000 0.449 863 L N 1.100 122.377 121.223 0.090 0.000 2.201 863 L HA -0.050 4.290 4.340 -0.000 0.000 0.212 863 L C 2.651 179.522 176.870 0.002 0.000 1.105 863 L CA 0.827 55.710 54.840 0.072 0.000 0.775 863 L CB -0.590 41.533 42.059 0.106 0.000 0.913 863 L HN 0.310 nan 8.230 nan 0.000 0.440 864 A N 0.241 123.057 122.820 -0.006 0.000 1.972 864 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 864 A C 2.451 180.026 177.584 -0.015 0.000 1.169 864 A CA 2.121 54.136 52.037 -0.037 0.000 0.635 864 A CB -0.898 18.083 19.000 -0.031 0.000 0.810 864 A HN 0.516 nan 8.150 nan 0.000 0.446 865 T N -2.859 111.706 114.554 0.017 0.000 2.915 865 T HA -0.061 4.289 4.350 -0.000 0.000 0.269 865 T C 1.612 176.326 174.700 0.023 0.000 1.071 865 T CA 1.544 63.661 62.100 0.028 0.000 1.132 865 T CB -0.475 68.412 68.868 0.032 0.000 0.878 865 T HN 0.087 nan 8.240 nan 0.000 0.479 866 V N 1.198 121.127 119.914 0.025 0.000 2.374 866 V HA 0.022 4.141 4.120 -0.000 0.000 0.241 866 V C 2.823 178.916 176.094 -0.003 0.000 1.034 866 V CA 1.126 63.450 62.300 0.040 0.000 1.037 866 V CB -0.517 31.363 31.823 0.095 0.000 0.682 866 V HN 0.323 nan 8.190 nan 0.000 0.463 867 M N -0.010 119.556 119.600 -0.056 0.000 2.159 867 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 867 M C 1.891 178.094 176.300 -0.163 0.000 1.063 867 M CA 1.774 56.995 55.300 -0.131 0.000 1.110 867 M CB -1.009 31.463 32.600 -0.213 0.000 1.374 867 M HN 0.261 nan 8.290 nan 0.000 0.411 868 L N -0.764 120.381 121.223 -0.131 0.000 2.629 868 L HA 0.213 4.552 4.340 -0.000 0.000 0.230 868 L C 1.140 178.045 176.870 0.058 0.000 1.151 868 L CA -0.614 54.153 54.840 -0.122 0.000 0.924 868 L CB -0.787 41.225 42.059 -0.078 0.000 1.137 868 L HN 0.153 nan 8.230 nan 0.000 0.457 869 G N -1.157 107.661 108.800 0.029 0.000 2.488 869 G HA2 0.237 4.197 3.960 -0.000 0.000 0.318 869 G HA3 0.237 4.197 3.960 -0.000 0.000 0.318 869 G C 0.391 175.316 174.900 0.042 0.000 1.188 869 G CA -0.295 44.833 45.100 0.047 0.000 0.944 869 G HN -0.036 nan 8.290 nan 0.000 0.495 870 Q N -0.159 119.649 119.800 0.013 0.000 2.269 870 Q HA 0.045 4.385 4.340 -0.000 0.000 0.201 870 Q C 1.630 177.615 176.000 -0.026 0.000 0.946 870 Q CA 0.545 56.345 55.803 -0.004 0.000 0.877 870 Q CB -0.114 28.601 28.738 -0.038 0.000 0.963 870 Q HN 0.541 nan 8.270 nan 0.000 0.472 871 G N 0.829 109.608 108.800 -0.035 0.000 2.634 871 G HA2 0.304 4.264 3.960 -0.000 0.000 0.255 871 G HA3 0.304 4.264 3.960 -0.000 0.000 0.255 871 G C -0.038 174.838 174.900 -0.040 0.000 1.205 871 G CA -0.616 44.460 45.100 -0.041 0.000 0.884 871 G HN 0.132 nan 8.290 nan 0.000 0.549 872 I N 0.910 121.438 120.570 -0.070 0.000 2.648 872 I HA 0.196 4.366 4.170 -0.000 0.000 0.284 872 I C 1.074 177.177 176.117 -0.023 0.000 1.153 872 I CA -0.017 61.218 61.300 -0.109 0.000 1.426 872 I CB 0.928 38.791 38.000 -0.228 0.000 1.381 872 I HN 0.457 nan 8.210 nan 0.000 0.571 873 A N 7.512 130.326 122.820 -0.010 0.000 2.289 873 A HA 0.559 4.879 4.320 -0.000 0.000 0.298 873 A C -0.863 176.824 177.584 0.172 0.000 1.208 873 A CA -0.173 51.909 52.037 0.075 0.000 0.845 873 A CB 0.335 19.343 19.000 0.013 0.000 1.125 873 A HN 0.561 nan 8.150 nan 0.000 0.517 874 F N 2.086 122.114 119.950 0.129 0.000 2.565 874 F HA 0.677 5.204 4.527 -0.000 0.000 0.313 874 F C -1.059 174.902 175.800 0.269 0.000 1.091 874 F CA -0.742 57.376 58.000 0.196 0.000 0.915 874 F CB 2.088 41.245 39.000 0.262 0.000 1.208 874 F HN 0.593 nan 8.300 nan 0.000 0.453 875 D N 2.858 123.073 120.400 -0.307 0.000 2.609 875 D HA 0.183 4.823 4.640 -0.000 0.000 0.239 875 D C -1.719 174.372 176.300 -0.348 0.000 1.229 875 D CA -0.376 53.595 54.000 -0.049 0.000 0.808 875 D CB 2.167 43.091 40.800 0.207 0.000 1.448 875 D HN 0.722 nan 8.370 nan 0.000 0.433 876 Q N 1.344 121.096 119.800 -0.081 0.000 2.293 876 Q HA 0.166 4.506 4.340 -0.000 0.000 0.251 876 Q C -0.315 175.511 176.000 -0.290 0.000 0.930 876 Q CA -0.496 55.227 55.803 -0.133 0.000 0.893 876 Q CB 0.975 29.745 28.738 0.052 0.000 1.215 876 Q HN 0.475 nan 8.270 nan 0.000 0.425 877 Q N 2.150 121.702 119.800 -0.413 0.000 2.263 877 Q HA 0.089 4.428 4.340 -0.000 0.000 0.289 877 Q C 0.290 176.212 176.000 -0.128 0.000 1.061 877 Q CA 1.368 56.888 55.803 -0.472 0.000 0.927 877 Q CB -0.054 28.581 28.738 -0.172 0.000 1.154 877 Q HN 1.023 nan 8.270 nan 0.000 0.378 878 G N 2.679 111.463 108.800 -0.026 0.000 2.195 878 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.224 878 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.224 878 G C 0.902 175.747 174.900 -0.092 0.000 0.990 878 G CA 0.310 45.367 45.100 -0.072 0.000 0.639 878 G HN 0.619 nan 8.290 nan 0.000 0.514 879 S N 1.084 116.746 115.700 -0.063 0.000 2.400 879 S HA -0.107 4.363 4.470 -0.000 0.000 0.232 879 S C 2.114 176.674 174.600 -0.067 0.000 1.025 879 S CA 1.748 59.952 58.200 0.007 0.000 0.993 879 S CB -0.204 63.086 63.200 0.150 0.000 0.808 879 S HN 0.856 nan 8.310 nan 0.000 0.478 880 E N 1.354 121.352 120.200 -0.338 0.000 2.418 880 E HA -0.073 4.277 4.350 -0.000 0.000 0.197 880 E C 1.043 177.561 176.600 -0.136 0.000 1.026 880 E CA 0.700 56.882 56.400 -0.362 0.000 0.862 880 E CB -0.270 28.994 29.700 -0.727 0.000 0.799 880 E HN 0.477 nan 8.360 nan 0.000 0.518 881 L N 0.861 121.989 121.223 -0.158 0.000 2.910 881 L HA 0.280 4.620 4.340 -0.000 0.000 0.252 881 L C 0.372 177.075 176.870 -0.278 0.000 1.195 881 L CA -0.293 54.416 54.840 -0.217 0.000 1.003 881 L CB -0.060 41.824 42.059 -0.292 0.000 1.328 881 L HN -0.017 nan 8.230 nan 0.000 0.540 882 L N 0.247 121.344 121.223 -0.210 0.000 3.737 882 L HA -0.260 4.080 4.340 -0.000 0.000 0.418 882 L C 0.978 177.658 176.870 -0.317 0.000 1.216 882 L CA 0.238 54.903 54.840 -0.291 0.000 0.915 882 L CB -1.559 40.068 42.059 -0.720 0.000 1.834 882 L HN 0.465 nan 8.230 nan 0.000 0.943 883 R N 0.992 121.389 120.500 -0.172 0.000 2.523 883 R HA 0.174 4.514 4.340 -0.000 0.000 0.281 883 R C 0.430 176.705 176.300 -0.041 0.000 0.969 883 R CA 1.114 57.127 56.100 -0.145 0.000 1.093 883 R CB 0.610 30.855 30.300 -0.092 0.000 0.917 883 R HN 0.269 nan 8.270 nan 0.000 0.408 884 S N 2.301 117.957 115.700 -0.074 0.000 2.568 884 S HA 0.370 4.840 4.470 -0.000 0.000 0.293 884 S C -0.432 174.157 174.600 -0.017 0.000 1.089 884 S CA -0.873 57.345 58.200 0.030 0.000 0.945 884 S CB 1.601 64.873 63.200 0.119 0.000 1.077 884 S HN 0.734 nan 8.310 nan 0.000 0.485 885 K N 1.472 121.887 120.400 0.025 0.000 2.564 885 K HA 0.299 4.619 4.320 -0.000 0.000 0.205 885 K C 0.035 176.717 176.600 0.138 0.000 1.053 885 K CA -0.050 56.287 56.287 0.084 0.000 1.072 885 K CB 0.591 33.170 32.500 0.131 0.000 0.822 885 K HN 0.628 nan 8.250 nan 0.000 0.497 886 S N 0.295 115.984 115.700 -0.019 0.000 3.698 886 S HA -0.201 4.268 4.470 -0.000 0.000 0.338 886 S C 0.037 174.665 174.600 0.046 0.000 1.089 886 S CA 0.804 58.962 58.200 -0.071 0.000 0.991 886 S CB -1.193 62.151 63.200 0.241 0.000 0.909 886 S HN 0.578 nan 8.310 nan 0.000 0.485 887 F N -2.184 117.763 119.950 -0.005 0.000 2.656 887 F HA -0.216 4.310 4.527 -0.000 0.000 0.381 887 F C 0.803 176.636 175.800 0.055 0.000 0.603 887 F CA 1.038 59.022 58.000 -0.027 0.000 1.335 887 F CB -2.571 36.363 39.000 -0.110 0.000 1.836 887 F HN 0.361 nan 8.300 nan 0.000 0.290 888 T N 1.154 115.803 114.554 0.159 0.000 2.867 888 T HA 0.110 4.460 4.350 -0.000 0.000 0.297 888 T C 1.404 176.188 174.700 0.140 0.000 0.989 888 T CA 0.322 62.460 62.100 0.063 0.000 1.159 888 T CB 1.534 70.362 68.868 -0.066 0.000 0.928 888 T HN 0.381 nan 8.240 nan 0.000 0.538 889 R N 1.766 122.345 120.500 0.131 0.000 2.090 889 R HA 0.026 4.365 4.340 -0.000 0.000 0.219 889 R C 0.129 176.524 176.300 0.158 0.000 1.100 889 R CA 0.673 56.865 56.100 0.154 0.000 0.991 889 R CB 0.372 30.744 30.300 0.121 0.000 0.893 889 R HN 0.534 nan 8.270 nan 0.000 0.443 890 D N 0.333 120.801 120.400 0.113 0.000 2.404 890 D HA 0.052 4.692 4.640 -0.000 0.000 0.267 890 D C -0.429 175.877 176.300 0.010 0.000 1.194 890 D CA -0.268 53.808 54.000 0.127 0.000 0.910 890 D CB 1.473 42.321 40.800 0.079 0.000 1.090 890 D HN 0.166 nan 8.370 nan 0.000 0.511 891 S N 2.373 118.070 115.700 -0.006 0.000 2.660 891 S HA -0.064 4.405 4.470 -0.000 0.000 0.227 891 S C 1.739 175.972 174.600 -0.611 0.000 0.948 891 S CA -0.448 57.654 58.200 -0.163 0.000 0.948 891 S CB -0.814 62.447 63.200 0.101 0.000 0.779 891 S HN 0.510 nan 8.310 nan 0.000 0.487 892 Y N 1.118 120.530 120.300 -1.480 0.000 2.283 892 Y HA -0.038 4.512 4.550 -0.000 0.000 0.285 892 Y C 1.107 176.673 175.900 -0.558 0.000 1.176 892 Y CA 1.531 58.562 58.100 -1.782 0.000 1.229 892 Y CB -0.543 37.218 38.460 -1.165 0.000 0.975 892 Y HN 0.393 nan 8.280 nan 0.000 0.537 893 D N -0.916 118.800 120.400 -1.140 0.000 2.692 893 D HA 0.180 4.820 4.640 -0.000 0.000 0.290 893 D C 0.283 176.328 176.300 -0.426 0.000 1.455 893 D CA 0.054 53.619 54.000 -0.724 0.000 0.796 893 D CB 0.032 40.188 40.800 -1.074 0.000 1.131 893 D HN 0.217 nan 8.370 nan 0.000 0.467 894 S N -0.289 115.191 115.700 -0.368 0.000 2.660 894 S HA 0.466 4.936 4.470 -0.000 0.000 0.227 894 S C 1.074 175.593 174.600 -0.135 0.000 0.948 894 S CA 0.131 58.219 58.200 -0.186 0.000 0.948 894 S CB 0.163 63.275 63.200 -0.148 0.000 0.779 894 S HN 0.604 nan 8.310 nan 0.000 0.487 895 G N 2.337 110.895 108.800 -0.404 0.000 2.740 895 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.250 895 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.250 895 G C 0.071 174.620 174.900 -0.585 0.000 1.358 895 G CA 0.062 44.873 45.100 -0.480 0.000 0.897 895 G HN 0.327 nan 8.290 nan 0.000 0.567 896 D N -0.943 119.366 120.400 -0.151 0.000 2.178 896 D HA -0.086 4.553 4.640 -0.000 0.000 0.201 896 D C 1.849 178.377 176.300 0.380 0.000 0.980 896 D CA 1.546 55.643 54.000 0.162 0.000 0.842 896 D CB -0.156 40.720 40.800 0.127 0.000 0.948 896 D HN 0.500 nan 8.370 nan 0.000 0.472 897 W N 0.586 121.934 121.300 0.080 0.000 2.332 897 W HA -0.245 4.414 4.660 -0.000 0.000 0.321 897 W C 1.517 177.862 176.519 -0.291 0.000 1.219 897 W CA 1.067 58.380 57.345 -0.053 0.000 1.277 897 W CB -0.511 28.774 29.460 -0.291 0.000 1.161 897 W HN -0.052 nan 8.180 nan 0.000 0.476 898 F N 0.248 120.205 119.950 0.011 0.000 2.743 898 F HA 0.015 4.542 4.527 -0.000 0.000 0.297 898 F C 1.461 177.171 175.800 -0.150 0.000 1.131 898 F CA 0.922 58.862 58.000 -0.099 0.000 1.426 898 F CB -0.655 38.349 39.000 0.007 0.000 1.116 898 F HN -0.150 nan 8.300 nan 0.000 0.583 899 N N -0.274 118.415 118.700 -0.017 0.000 2.230 899 N HA 0.042 4.782 4.740 -0.000 0.000 0.202 899 N C 0.417 175.896 175.510 -0.052 0.000 1.119 899 N CA -0.257 52.789 53.050 -0.006 0.000 0.851 899 N CB 0.172 38.641 38.487 -0.031 0.000 0.990 899 N HN 0.005 nan 8.380 nan 0.000 0.497 900 R N 1.315 121.675 120.500 -0.233 0.000 2.538 900 R HA 0.089 4.428 4.340 -0.000 0.000 0.282 900 R C -1.035 174.971 176.300 -0.491 0.000 1.009 900 R CA 0.425 56.198 56.100 -0.544 0.000 1.063 900 R CB 0.324 29.854 30.300 -1.283 0.000 0.945 900 R HN -0.144 nan 8.270 nan 0.000 0.414 901 V N 4.748 124.403 119.914 -0.431 0.000 2.443 901 V HA 0.111 4.231 4.120 -0.000 0.000 0.293 901 V C -0.776 174.957 176.094 -0.602 0.000 1.021 901 V CA -0.762 61.242 62.300 -0.492 0.000 0.848 901 V CB 1.582 33.163 31.823 -0.405 0.000 0.998 901 V HN 0.785 nan 8.190 nan 0.000 0.424 902 D N 3.298 123.320 120.400 -0.629 0.000 2.428 902 D HA 0.245 4.885 4.640 -0.000 0.000 0.221 902 D C 0.360 176.361 176.300 -0.498 0.000 1.123 902 D CA -0.147 53.565 54.000 -0.481 0.000 0.869 902 D CB 0.627 41.176 40.800 -0.418 0.000 1.032 902 D HN 0.525 nan 8.370 nan 0.000 0.506 903 Y N 1.322 121.521 120.300 -0.169 0.000 2.578 903 Y HA -0.043 4.507 4.550 -0.000 0.000 0.297 903 Y C 2.311 178.127 175.900 -0.140 0.000 1.176 903 Y CA 0.370 58.350 58.100 -0.200 0.000 1.315 903 Y CB 0.184 38.548 38.460 -0.161 0.000 1.031 903 Y HN 0.394 nan 8.280 nan 0.000 0.524 904 S N -0.515 115.162 115.700 -0.038 0.000 2.575 904 S HA 0.032 4.502 4.470 -0.000 0.000 0.215 904 S C 0.839 175.390 174.600 -0.081 0.000 0.966 904 S CA -0.018 58.162 58.200 -0.032 0.000 0.911 904 S CB -0.563 62.623 63.200 -0.024 0.000 0.780 904 S HN 0.505 nan 8.310 nan 0.000 0.514 905 L N -0.363 120.774 121.223 -0.144 0.000 3.865 905 L HA -0.235 4.105 4.340 -0.000 0.000 0.408 905 L C 1.163 177.935 176.870 -0.164 0.000 1.209 905 L CA 0.374 55.113 54.840 -0.169 0.000 0.940 905 L CB -2.277 39.710 42.059 -0.120 0.000 1.971 905 L HN 0.316 nan 8.230 nan 0.000 0.899 906 Q N 0.669 120.366 119.800 -0.172 0.000 2.137 906 Q HA 0.038 4.378 4.340 -0.000 0.000 0.198 906 Q C 0.746 176.633 176.000 -0.189 0.000 0.960 906 Q CA 2.001 57.710 55.803 -0.156 0.000 0.847 906 Q CB 0.171 28.827 28.738 -0.138 0.000 0.915 906 Q HN 0.944 nan 8.270 nan 0.000 0.448 907 D N -2.056 118.197 120.400 -0.245 0.000 2.713 907 D HA 0.059 4.699 4.640 -0.000 0.000 0.306 907 D C -0.248 175.848 176.300 -0.340 0.000 1.299 907 D CA -0.661 53.176 54.000 -0.271 0.000 0.823 907 D CB -0.091 40.567 40.800 -0.237 0.000 1.353 907 D HN -0.136 nan 8.370 nan 0.000 0.447 908 N N 0.565 119.048 118.700 -0.361 0.000 2.251 908 N HA 0.094 4.834 4.740 -0.000 0.000 0.217 908 N C 0.089 175.393 175.510 -0.342 0.000 1.124 908 N CA -0.137 52.673 53.050 -0.399 0.000 0.843 908 N CB -0.261 37.906 38.487 -0.533 0.000 1.024 908 N HN 0.618 nan 8.380 nan 0.000 0.501 909 N N -1.034 117.455 118.700 -0.352 0.000 2.782 909 N HA -0.248 4.492 4.740 -0.000 0.000 0.251 909 N C -1.180 174.189 175.510 -0.234 0.000 1.101 909 N CA 0.403 53.221 53.050 -0.388 0.000 0.764 909 N CB -2.113 36.093 38.487 -0.467 0.000 1.122 909 N HN 0.634 nan 8.380 nan 0.000 0.561 910 Y N 1.568 121.701 120.300 -0.277 0.000 2.301 910 Y HA 0.334 4.883 4.550 -0.000 0.000 0.328 910 Y C 1.327 177.146 175.900 -0.135 0.000 1.242 910 Y CA 0.453 58.441 58.100 -0.187 0.000 1.323 910 Y CB 0.525 38.912 38.460 -0.122 0.000 1.266 910 Y HN 0.318 nan 8.280 nan 0.000 0.527 911 N N 2.653 120.978 118.700 -0.625 0.000 2.714 911 N HA -0.185 4.555 4.740 -0.000 0.000 0.253 911 N C -0.593 174.837 175.510 -0.133 0.000 1.024 911 N CA 0.521 53.368 53.050 -0.339 0.000 0.726 911 N CB -0.652 37.741 38.487 -0.156 0.000 0.908 911 N HN 0.566 nan 8.380 nan 0.000 0.542 912 V N -1.398 118.451 119.914 -0.108 0.000 3.006 912 V HA 0.704 4.824 4.120 -0.000 0.000 0.357 912 V C 0.799 177.004 176.094 0.186 0.000 1.377 912 V CA 0.394 62.677 62.300 -0.027 0.000 1.198 912 V CB 0.525 32.143 31.823 -0.341 0.000 1.216 912 V HN 0.632 nan 8.190 nan 0.000 0.520 913 G N 0.280 109.170 108.800 0.149 0.000 2.525 913 G HA2 0.099 4.059 3.960 -0.000 0.000 0.685 913 G HA3 0.099 4.059 3.960 -0.000 0.000 0.685 913 G C -0.819 174.243 174.900 0.270 0.000 1.285 913 G CA -0.895 44.327 45.100 0.204 0.000 0.849 913 G HN 0.165 nan 8.290 nan 0.000 0.653 914 M N 2.315 121.977 119.600 0.103 0.000 2.249 914 M HA 0.216 4.696 4.480 -0.000 0.000 0.340 914 M C -1.344 175.036 176.300 0.133 0.000 1.166 914 M CA -1.601 53.683 55.300 -0.027 0.000 1.115 914 M CB -0.003 32.299 32.600 -0.496 0.000 1.606 914 M HN 0.514 nan 8.290 nan 0.000 0.448 915 P HA 0.098 nan 4.420 nan 0.000 0.273 915 P C -0.791 176.476 177.300 -0.055 0.000 1.250 915 P CA -0.447 62.527 63.100 -0.210 0.000 0.793 915 P CB 0.187 31.842 31.700 -0.076 0.000 1.011 916 R N 0.140 120.485 120.500 -0.258 0.000 2.481 916 R HA -0.012 4.327 4.340 -0.000 0.000 0.291 916 R C 1.068 177.363 176.300 -0.009 0.000 0.934 916 R CA 0.381 56.418 56.100 -0.106 0.000 1.116 916 R CB -1.006 29.199 30.300 -0.159 0.000 0.895 916 R HN 0.472 nan 8.270 nan 0.000 0.410 917 S N 2.025 117.737 115.700 0.021 0.000 2.406 917 S HA -0.214 4.255 4.470 -0.000 0.000 0.228 917 S C 1.977 176.485 174.600 -0.153 0.000 1.020 917 S CA 0.705 58.831 58.200 -0.123 0.000 0.965 917 S CB -0.277 62.897 63.200 -0.043 0.000 0.798 917 S HN 0.825 nan 8.310 nan 0.000 0.488 918 S N 1.871 117.523 115.700 -0.079 0.000 2.383 918 S HA -0.203 4.266 4.470 -0.000 0.000 0.229 918 S C 1.523 176.078 174.600 -0.074 0.000 1.030 918 S CA 1.648 59.808 58.200 -0.067 0.000 1.002 918 S CB -0.669 62.510 63.200 -0.035 0.000 0.829 918 S HN 0.605 nan 8.310 nan 0.000 0.467 919 D N 0.163 120.520 120.400 -0.071 0.000 2.422 919 D HA 0.131 4.770 4.640 -0.000 0.000 0.218 919 D C 0.932 177.191 176.300 -0.068 0.000 1.047 919 D CA 0.421 54.386 54.000 -0.058 0.000 0.885 919 D CB 0.243 41.025 40.800 -0.029 0.000 1.035 919 D HN 0.260 nan 8.370 nan 0.000 0.502 920 D N -0.739 119.610 120.400 -0.086 0.000 2.431 920 D HA 0.157 4.796 4.640 -0.000 0.000 0.213 920 D C 1.759 177.903 176.300 -0.260 0.000 1.130 920 D CA 0.104 54.066 54.000 -0.064 0.000 0.834 920 D CB 0.833 41.677 40.800 0.073 0.000 0.985 920 D HN 0.251 nan 8.370 nan 0.000 0.504 921 G N 1.511 110.028 108.800 -0.472 0.000 2.469 921 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.220 921 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.220 921 G C 1.656 176.250 174.900 -0.509 0.000 1.136 921 G CA 1.356 45.938 45.100 -0.864 0.000 0.759 921 G HN 0.356 nan 8.290 nan 0.000 0.562 922 S N 0.283 115.833 115.700 -0.249 0.000 2.603 922 S HA 0.027 4.496 4.470 -0.000 0.000 0.229 922 S C 1.560 176.112 174.600 -0.079 0.000 0.972 922 S CA 0.843 58.963 58.200 -0.133 0.000 0.935 922 S CB -0.096 63.050 63.200 -0.090 0.000 0.769 922 S HN 0.331 nan 8.310 nan 0.000 0.536 923 N N 0.015 118.680 118.700 -0.059 0.000 2.205 923 N HA 0.234 4.974 4.740 -0.000 0.000 0.201 923 N C 0.701 176.305 175.510 0.156 0.000 1.128 923 N CA -0.072 52.995 53.050 0.028 0.000 0.867 923 N CB -0.196 38.324 38.487 0.055 0.000 0.996 923 N HN 0.562 nan 8.380 nan 0.000 0.503 924 Y N 1.204 121.491 120.300 -0.021 0.000 2.165 924 Y HA -0.270 4.279 4.550 -0.000 0.000 0.286 924 Y C 2.234 178.116 175.900 -0.029 0.000 1.155 924 Y CA 0.942 59.029 58.100 -0.021 0.000 1.164 924 Y CB 0.140 38.597 38.460 -0.006 0.000 0.978 924 Y HN 0.112 nan 8.280 nan 0.000 0.513 925 D N 0.479 120.965 120.400 0.143 0.000 2.092 925 D HA -0.228 4.411 4.640 -0.000 0.000 0.193 925 D C 1.900 178.219 176.300 0.032 0.000 0.994 925 D CA 1.320 55.360 54.000 0.066 0.000 0.828 925 D CB -0.228 40.596 40.800 0.040 0.000 0.963 925 D HN 0.197 nan 8.370 nan 0.000 0.450 926 I N 0.146 120.727 120.570 0.018 0.000 2.394 926 I HA -0.093 4.077 4.170 -0.000 0.000 0.251 926 I C 1.875 177.991 176.117 -0.001 0.000 1.136 926 I CA 0.955 62.256 61.300 0.003 0.000 1.425 926 I CB -0.178 37.796 38.000 -0.043 0.000 1.079 926 I HN 0.219 nan 8.210 nan 0.000 0.425 927 I N 0.418 120.963 120.570 -0.041 0.000 2.179 927 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 927 I C 2.541 178.571 176.117 -0.145 0.000 1.088 927 I CA 1.344 62.483 61.300 -0.269 0.000 1.357 927 I CB -0.658 37.151 38.000 -0.318 0.000 1.051 927 I HN 0.261 nan 8.210 nan 0.000 0.409 928 A N 0.504 123.290 122.820 -0.057 0.000 2.019 928 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 928 A C 2.369 179.956 177.584 0.006 0.000 1.164 928 A CA 1.312 53.336 52.037 -0.022 0.000 0.644 928 A CB -0.497 18.497 19.000 -0.011 0.000 0.805 928 A HN 0.327 nan 8.150 nan 0.000 0.449 929 R N -0.770 119.735 120.500 0.008 0.000 2.119 929 R HA -0.045 4.295 4.340 -0.000 0.000 0.222 929 R C 1.888 178.213 176.300 0.042 0.000 1.088 929 R CA 1.553 57.667 56.100 0.024 0.000 0.984 929 R CB -0.137 30.177 30.300 0.022 0.000 0.884 929 R HN 0.600 nan 8.270 nan 0.000 0.447 930 V N -2.715 117.227 119.914 0.046 0.000 3.523 930 V HA 0.116 4.236 4.120 -0.000 0.000 0.255 930 V C 1.964 178.157 176.094 0.164 0.000 1.226 930 V CA 0.337 62.692 62.300 0.092 0.000 1.092 930 V CB 0.025 31.918 31.823 0.117 0.000 0.817 930 V HN 0.016 nan 8.190 nan 0.000 0.458 931 K N 1.166 121.670 120.400 0.173 0.000 2.059 931 K HA -0.239 4.081 4.320 -0.000 0.000 0.212 931 K C 1.216 178.011 176.600 0.325 0.000 1.050 931 K CA 2.460 58.946 56.287 0.332 0.000 0.927 931 K CB -0.212 32.412 32.500 0.207 0.000 0.714 931 K HN 0.605 nan 8.250 nan 0.000 0.447 932 D N -0.308 120.206 120.400 0.191 0.000 2.358 932 D HA 0.090 4.730 4.640 -0.000 0.000 0.224 932 D C 1.123 177.495 176.300 0.121 0.000 1.123 932 D CA 0.413 54.510 54.000 0.162 0.000 0.833 932 D CB 0.554 41.418 40.800 0.107 0.000 0.946 932 D HN 0.303 nan 8.370 nan 0.000 0.505 933 A N 0.660 123.551 122.820 0.117 0.000 1.903 933 A HA -0.089 4.230 4.320 -0.000 0.000 0.219 933 A C 1.374 178.991 177.584 0.055 0.000 1.191 933 A CA 1.803 53.882 52.037 0.070 0.000 0.638 933 A CB -0.262 18.769 19.000 0.052 0.000 0.823 933 A HN 0.249 nan 8.150 nan 0.000 0.451 934 V N -5.932 114.018 119.914 0.061 0.000 3.156 934 V HA 0.862 4.982 4.120 -0.000 0.000 0.311 934 V C 0.231 176.365 176.094 0.067 0.000 1.208 934 V CA -1.103 61.226 62.300 0.048 0.000 1.063 934 V CB 0.867 32.707 31.823 0.028 0.000 1.098 934 V HN 0.930 nan 8.190 nan 0.000 0.452 935 A N 0.141 122.991 122.820 0.050 0.000 2.406 935 A HA 0.579 4.899 4.320 -0.000 0.000 0.243 935 A C 0.527 178.132 177.584 0.034 0.000 1.082 935 A CA 0.195 52.259 52.037 0.044 0.000 0.786 935 A CB -0.286 18.724 19.000 0.018 0.000 1.029 935 A HN 1.056 nan 8.150 nan 0.000 0.495 936 T N 3.312 117.886 114.554 0.034 0.000 2.832 936 T HA 0.417 4.767 4.350 -0.000 0.000 0.296 936 T C -2.297 172.331 174.700 -0.119 0.000 0.968 936 T CA -0.357 61.739 62.100 -0.007 0.000 1.107 936 T CB 0.412 69.326 68.868 0.077 0.000 0.916 936 T HN 0.461 nan 8.240 nan 0.000 0.517 937 P HA 0.235 nan 4.420 nan 0.000 0.264 937 P C 0.240 177.392 177.300 -0.247 0.000 1.179 937 P CA 0.150 63.057 63.100 -0.323 0.000 0.763 937 P CB 0.466 31.797 31.700 -0.615 0.000 0.806 938 G N 0.965 109.648 108.800 -0.196 0.000 3.209 938 G HA2 0.190 4.150 3.960 -0.000 0.000 0.236 938 G HA3 0.190 4.150 3.960 -0.000 0.000 0.236 938 G C 0.593 175.394 174.900 -0.166 0.000 1.329 938 G CA -0.375 44.628 45.100 -0.162 0.000 1.015 938 G HN 0.455 nan 8.290 nan 0.000 0.571 939 E N -1.013 119.107 120.200 -0.133 0.000 2.118 939 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 939 E C 2.264 178.793 176.600 -0.117 0.000 0.992 939 E CA 1.873 58.200 56.400 -0.122 0.000 0.804 939 E CB -0.137 29.507 29.700 -0.094 0.000 0.741 939 E HN 0.414 nan 8.360 nan 0.000 0.458 940 T N 0.642 115.132 114.554 -0.106 0.000 2.708 940 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 940 T C 1.500 176.123 174.700 -0.129 0.000 1.037 940 T CA 1.639 63.678 62.100 -0.101 0.000 1.146 940 T CB -0.216 68.604 68.868 -0.080 0.000 0.865 940 T HN 0.209 nan 8.240 nan 0.000 0.435 941 E N 1.031 121.143 120.200 -0.146 0.000 2.072 941 E HA 0.043 4.393 4.350 -0.000 0.000 0.191 941 E C 2.219 178.700 176.600 -0.199 0.000 0.985 941 E CA 0.609 56.906 56.400 -0.173 0.000 0.801 941 E CB -0.485 29.092 29.700 -0.205 0.000 0.750 941 E HN 0.396 nan 8.360 nan 0.000 0.452 942 L N 0.544 121.644 121.223 -0.206 0.000 2.046 942 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 942 L C 2.208 178.991 176.870 -0.144 0.000 1.077 942 L CA 1.336 56.058 54.840 -0.196 0.000 0.747 942 L CB -0.470 41.465 42.059 -0.207 0.000 0.896 942 L HN 0.101 nan 8.230 nan 0.000 0.432 943 K N -0.143 120.178 120.400 -0.133 0.000 2.097 943 K HA -0.232 4.088 4.320 -0.000 0.000 0.205 943 K C 2.162 178.664 176.600 -0.164 0.000 1.050 943 K CA 1.296 57.517 56.287 -0.111 0.000 0.938 943 K CB -0.115 32.328 32.500 -0.095 0.000 0.718 943 K HN 0.322 nan 8.250 nan 0.000 0.442 944 Q N 0.606 120.268 119.800 -0.231 0.000 2.084 944 Q HA -0.203 4.136 4.340 -0.000 0.000 0.202 944 Q C 2.138 177.816 176.000 -0.536 0.000 0.978 944 Q CA 1.416 56.966 55.803 -0.421 0.000 0.844 944 Q CB 0.004 28.502 28.738 -0.399 0.000 0.898 944 Q HN 0.151 nan 8.270 nan 0.000 0.426 945 M N 0.078 119.524 119.600 -0.257 0.000 2.132 945 M HA -0.086 4.393 4.480 -0.000 0.000 0.263 945 M C 1.905 178.238 176.300 0.055 0.000 1.065 945 M CA 1.900 57.175 55.300 -0.043 0.000 1.122 945 M CB -0.498 32.102 32.600 -0.000 0.000 1.365 945 M HN 0.109 nan 8.290 nan 0.000 0.411 946 T N 0.659 115.213 114.554 -0.001 0.000 2.759 946 T HA -0.106 4.243 4.350 -0.000 0.000 0.269 946 T C 1.800 176.553 174.700 0.088 0.000 1.042 946 T CA 1.580 63.718 62.100 0.063 0.000 1.140 946 T CB -0.683 68.218 68.868 0.056 0.000 0.864 946 T HN 0.550 nan 8.240 nan 0.000 0.455 947 A N 1.097 123.911 122.820 -0.010 0.000 1.877 947 A HA -0.000 4.320 4.320 -0.000 0.000 0.216 947 A C 1.947 179.617 177.584 0.144 0.000 1.186 947 A CA 1.232 53.270 52.037 0.002 0.000 0.620 947 A CB -0.866 18.066 19.000 -0.114 0.000 0.822 947 A HN 0.403 nan 8.150 nan 0.000 0.443 948 F N -1.545 118.451 119.950 0.077 0.000 2.102 948 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 948 F C 2.221 178.072 175.800 0.086 0.000 1.105 948 F CA 0.775 58.819 58.000 0.074 0.000 1.239 948 F CB -1.442 37.610 39.000 0.086 0.000 0.991 948 F HN 0.414 nan 8.300 nan 0.000 0.474 949 Y N 1.051 121.483 120.300 0.219 0.000 2.128 949 Y HA -0.285 4.265 4.550 -0.000 0.000 0.284 949 Y C 2.499 178.434 175.900 0.059 0.000 1.154 949 Y CA 2.081 60.252 58.100 0.119 0.000 1.149 949 Y CB -0.473 38.048 38.460 0.103 0.000 0.976 949 Y HN 0.139 nan 8.280 nan 0.000 0.505 950 Q N -0.424 119.517 119.800 0.235 0.000 2.167 950 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 950 Q C 2.154 178.171 176.000 0.029 0.000 0.970 950 Q CA 1.487 57.354 55.803 0.107 0.000 0.855 950 Q CB -0.185 28.601 28.738 0.080 0.000 0.911 950 Q HN 0.639 nan 8.270 nan 0.000 0.438 951 E N 1.222 121.456 120.200 0.057 0.000 2.077 951 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 951 E C 1.944 178.514 176.600 -0.051 0.000 0.989 951 E CA 0.709 57.124 56.400 0.026 0.000 0.800 951 E CB -0.011 29.741 29.700 0.087 0.000 0.746 951 E HN 0.307 nan 8.360 nan 0.000 0.452 952 L N 0.789 121.960 121.223 -0.086 0.000 1.994 952 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 952 L C 3.009 179.739 176.870 -0.235 0.000 1.071 952 L CA 1.884 56.614 54.840 -0.183 0.000 0.745 952 L CB -0.958 40.967 42.059 -0.225 0.000 0.892 952 L HN 0.391 nan 8.230 nan 0.000 0.431 953 T N -2.443 111.972 114.554 -0.231 0.000 2.833 953 T HA -0.135 4.215 4.350 -0.000 0.000 0.269 953 T C 1.902 176.517 174.700 -0.141 0.000 1.054 953 T CA 0.972 62.956 62.100 -0.194 0.000 1.135 953 T CB -0.385 68.398 68.868 -0.142 0.000 0.869 953 T HN 0.322 nan 8.240 nan 0.000 0.466 954 A N 1.545 124.302 122.820 -0.105 0.000 1.898 954 A HA 0.212 4.532 4.320 -0.000 0.000 0.216 954 A C 2.429 179.950 177.584 -0.104 0.000 1.181 954 A CA 1.166 53.159 52.037 -0.073 0.000 0.620 954 A CB -0.843 18.134 19.000 -0.039 0.000 0.819 954 A HN 0.533 nan 8.150 nan 0.000 0.442 955 L N -1.089 120.032 121.223 -0.169 0.000 2.093 955 L HA -0.131 4.208 4.340 -0.000 0.000 0.208 955 L C 2.753 179.323 176.870 -0.500 0.000 1.085 955 L CA 1.478 56.166 54.840 -0.253 0.000 0.755 955 L CB -0.413 41.470 42.059 -0.294 0.000 0.904 955 L HN 0.459 nan 8.230 nan 0.000 0.435 956 R N 1.599 121.791 120.500 -0.514 0.000 2.105 956 R HA -0.205 4.135 4.340 -0.000 0.000 0.239 956 R C 1.998 178.194 176.300 -0.174 0.000 1.135 956 R CA 1.892 57.679 56.100 -0.521 0.000 0.967 956 R CB -0.026 30.087 30.300 -0.313 0.000 0.861 956 R HN 0.411 nan 8.270 nan 0.000 0.442 957 K N -0.199 120.147 120.400 -0.090 0.000 2.374 957 K HA 0.082 4.402 4.320 -0.000 0.000 0.196 957 K C 1.277 177.907 176.600 0.049 0.000 1.023 957 K CA 0.709 57.001 56.287 0.008 0.000 1.103 957 K CB 0.570 33.074 32.500 0.007 0.000 0.848 957 K HN 0.084 nan 8.250 nan 0.000 0.528 958 S N -0.394 115.343 115.700 0.061 0.000 2.522 958 S HA -0.008 4.462 4.470 -0.000 0.000 0.227 958 S C 0.598 175.280 174.600 0.137 0.000 0.986 958 S CA 0.042 58.296 58.200 0.090 0.000 0.929 958 S CB -0.002 63.249 63.200 0.084 0.000 0.769 958 S HN 0.261 nan 8.310 nan 0.000 0.529 959 S N 0.970 116.802 115.700 0.220 0.000 2.535 959 S HA 0.494 4.964 4.470 -0.000 0.000 0.272 959 S C -2.651 172.030 174.600 0.133 0.000 1.149 959 S CA -1.158 57.129 58.200 0.145 0.000 0.888 959 S CB 1.928 65.175 63.200 0.078 0.000 1.110 959 S HN 0.020 nan 8.310 nan 0.000 0.463 960 P HA 0.059 nan 4.420 nan 0.000 0.234 960 P C 1.300 178.595 177.300 -0.007 0.000 1.167 960 P CA 0.419 63.538 63.100 0.033 0.000 0.763 960 P CB 0.021 31.728 31.700 0.012 0.000 0.835 961 L N -2.171 118.998 121.223 -0.090 0.000 2.275 961 L HA -0.058 4.282 4.340 -0.000 0.000 0.215 961 L C 2.220 178.957 176.870 -0.222 0.000 1.119 961 L CA 1.041 55.761 54.840 -0.198 0.000 0.790 961 L CB -0.864 40.998 42.059 -0.328 0.000 0.919 961 L HN -0.126 nan 8.230 nan 0.000 0.443 962 F N -0.157 119.769 119.950 -0.041 0.000 2.456 962 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 962 F C 1.600 177.373 175.800 -0.046 0.000 1.104 962 F CA 0.814 58.785 58.000 -0.047 0.000 1.435 962 F CB -0.239 38.734 39.000 -0.045 0.000 1.078 962 F HN 0.051 nan 8.300 nan 0.000 0.546 963 T N -2.748 111.879 114.554 0.122 0.000 3.585 963 T HA 0.317 4.667 4.350 -0.000 0.000 0.252 963 T C 0.970 175.682 174.700 0.020 0.000 1.382 963 T CA -0.217 61.916 62.100 0.056 0.000 1.584 963 T CB -0.662 68.234 68.868 0.048 0.000 0.892 963 T HN 0.073 nan 8.240 nan 0.000 0.671 964 L N 1.031 122.257 121.223 0.006 0.000 2.187 964 L HA 0.082 4.422 4.340 -0.000 0.000 0.213 964 L C 2.623 179.496 176.870 0.004 0.000 1.100 964 L CA 1.609 56.448 54.840 -0.002 0.000 0.765 964 L CB -0.928 41.126 42.059 -0.008 0.000 0.904 964 L HN 0.821 nan 8.230 nan 0.000 0.437 965 G N -0.801 108.000 108.800 0.001 0.000 2.779 965 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.230 965 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.230 965 G C 0.230 175.138 174.900 0.014 0.000 1.243 965 G CA 0.441 45.541 45.100 0.002 0.000 0.769 965 G HN 0.400 nan 8.290 nan 0.000 0.516 966 D N 1.702 122.114 120.400 0.020 0.000 2.249 966 D HA 0.454 5.094 4.640 -0.000 0.000 0.246 966 D C 1.514 177.835 176.300 0.035 0.000 1.114 966 D CA 0.432 54.450 54.000 0.029 0.000 0.854 966 D CB 1.092 41.909 40.800 0.029 0.000 1.132 966 D HN 0.281 nan 8.370 nan 0.000 0.461 967 G N 2.241 111.066 108.800 0.041 0.000 2.446 967 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 967 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 967 G C 1.459 176.401 174.900 0.070 0.000 1.168 967 G CA 1.090 46.223 45.100 0.055 0.000 0.771 967 G HN 0.560 nan 8.290 nan 0.000 0.551 968 A N 0.051 122.903 122.820 0.053 0.000 1.933 968 A HA 0.002 4.322 4.320 -0.000 0.000 0.218 968 A C 2.524 180.135 177.584 0.045 0.000 1.175 968 A CA 2.415 54.480 52.037 0.047 0.000 0.628 968 A CB -0.811 18.209 19.000 0.033 0.000 0.814 968 A HN 0.311 nan 8.150 nan 0.000 0.444 969 T N -0.491 114.087 114.554 0.039 0.000 2.821 969 T HA -0.085 4.264 4.350 -0.000 0.000 0.267 969 T C 1.872 176.599 174.700 0.044 0.000 1.046 969 T CA 1.403 63.521 62.100 0.030 0.000 1.139 969 T CB -0.349 68.530 68.868 0.018 0.000 0.871 969 T HN 0.155 nan 8.240 nan 0.000 0.454 970 V N 1.796 121.749 119.914 0.065 0.000 2.295 970 V HA -0.206 3.913 4.120 -0.000 0.000 0.246 970 V C 2.470 178.683 176.094 0.198 0.000 1.049 970 V CA 1.781 64.142 62.300 0.100 0.000 1.024 970 V CB -0.600 31.277 31.823 0.090 0.000 0.648 970 V HN 0.506 nan 8.190 nan 0.000 0.447 971 M N -0.797 118.923 119.600 0.200 0.000 2.213 971 M HA -0.200 4.280 4.480 -0.000 0.000 0.263 971 M C 2.123 178.453 176.300 0.051 0.000 1.062 971 M CA 1.751 57.141 55.300 0.151 0.000 1.105 971 M CB -0.453 32.190 32.600 0.071 0.000 1.385 971 M HN 0.216 nan 8.290 nan 0.000 0.417 972 K N -0.316 120.110 120.400 0.044 0.000 2.296 972 K HA -0.020 4.299 4.320 -0.000 0.000 0.200 972 K C 1.789 178.396 176.600 0.011 0.000 1.048 972 K CA 0.814 57.109 56.287 0.014 0.000 0.966 972 K CB 0.211 32.717 32.500 0.009 0.000 0.754 972 K HN 0.349 nan 8.250 nan 0.000 0.466 973 R N -0.385 120.131 120.500 0.026 0.000 2.342 973 R HA 0.156 4.495 4.340 -0.000 0.000 0.204 973 R C -0.016 176.283 176.300 -0.001 0.000 0.882 973 R CA -0.079 56.021 56.100 -0.000 0.000 1.041 973 R CB 0.874 31.160 30.300 -0.023 0.000 1.188 973 R HN -0.139 nan 8.270 nan 0.000 0.598 974 V N 2.032 121.984 119.914 0.064 0.000 2.509 974 V HA 0.227 4.347 4.120 -0.000 0.000 0.284 974 V C -0.365 175.813 176.094 0.140 0.000 1.047 974 V CA -0.228 62.101 62.300 0.048 0.000 0.952 974 V CB 1.426 33.287 31.823 0.063 0.000 0.988 974 V HN 0.089 nan 8.190 nan 0.000 0.469 975 D N 2.051 122.404 120.400 -0.079 0.000 2.664 975 D HA 0.613 5.253 4.640 -0.000 0.000 0.292 975 D C -1.561 174.543 176.300 -0.327 0.000 1.214 975 D CA -0.318 53.688 54.000 0.009 0.000 0.932 975 D CB 2.093 42.908 40.800 0.026 0.000 1.420 975 D HN 0.210 nan 8.370 nan 0.000 0.471 976 F N 0.015 120.048 119.950 0.138 0.000 2.599 976 F HA 0.605 5.131 4.527 -0.000 0.000 0.311 976 F C 0.682 176.526 175.800 0.074 0.000 1.076 976 F CA -0.829 57.237 58.000 0.111 0.000 0.937 976 F CB 1.705 40.771 39.000 0.110 0.000 1.282 976 F HN -0.052 nan 8.300 nan 0.000 0.460 977 R N 0.074 120.727 120.500 0.256 0.000 2.943 977 R HA 0.366 4.705 4.340 -0.000 0.000 0.246 977 R C -0.263 176.114 176.300 0.128 0.000 1.201 977 R CA -1.173 55.004 56.100 0.129 0.000 1.056 977 R CB 0.754 31.095 30.300 0.068 0.000 1.243 977 R HN 0.847 nan 8.270 nan 0.000 0.498 978 N N 0.598 119.334 118.700 0.059 0.000 2.714 978 N HA -0.201 4.539 4.740 -0.000 0.000 0.253 978 N C -1.057 174.482 175.510 0.048 0.000 1.024 978 N CA 0.844 53.922 53.050 0.046 0.000 0.726 978 N CB -0.338 38.182 38.487 0.056 0.000 0.908 978 N HN 0.672 nan 8.380 nan 0.000 0.542 979 T N -1.937 112.643 114.554 0.043 0.000 2.910 979 T HA 0.832 5.182 4.350 -0.000 0.000 0.287 979 T C 0.763 175.473 174.700 0.016 0.000 1.050 979 T CA 0.146 62.264 62.100 0.031 0.000 1.011 979 T CB 2.158 71.055 68.868 0.047 0.000 1.195 979 T HN 0.835 nan 8.240 nan 0.000 0.540 980 G N -0.068 108.739 108.800 0.011 0.000 2.660 980 G HA2 0.278 4.238 3.960 -0.000 0.000 0.247 980 G HA3 0.278 4.238 3.960 -0.000 0.000 0.247 980 G C 0.758 175.662 174.900 0.007 0.000 1.328 980 G CA -0.125 44.980 45.100 0.008 0.000 0.884 980 G HN 1.626 nan 8.290 nan 0.000 0.531 981 A N -1.313 121.510 122.820 0.005 0.000 2.119 981 A HA 0.259 4.579 4.320 -0.000 0.000 0.217 981 A C 1.585 179.170 177.584 0.002 0.000 1.153 981 A CA 2.331 54.370 52.037 0.004 0.000 0.692 981 A CB -0.136 18.865 19.000 0.003 0.000 0.799 981 A HN 0.576 nan 8.150 nan 0.000 0.458 982 D N -0.128 120.272 120.400 0.000 0.000 2.388 982 D HA 0.077 4.717 4.640 -0.000 0.000 0.221 982 D C 0.687 176.985 176.300 -0.003 0.000 1.133 982 D CA -0.054 53.945 54.000 -0.002 0.000 0.831 982 D CB -0.035 40.762 40.800 -0.005 0.000 0.962 982 D HN 0.802 nan 8.370 nan 0.000 0.502 983 Q N 0.143 119.943 119.800 0.000 0.000 2.394 983 Q HA 0.141 4.480 4.340 -0.000 0.000 0.248 983 Q C -0.277 175.720 176.000 -0.004 0.000 0.992 983 Q CA -0.143 55.661 55.803 0.001 0.000 0.888 983 Q CB 0.803 29.544 28.738 0.005 0.000 1.257 983 Q HN 0.038 nan 8.270 nan 0.000 0.462 984 Q N 1.955 121.751 119.800 -0.007 0.000 2.337 984 Q HA 0.169 4.508 4.340 -0.000 0.000 0.255 984 Q C -0.642 175.345 176.000 -0.022 0.000 0.997 984 Q CA -0.254 55.539 55.803 -0.017 0.000 0.925 984 Q CB 1.069 29.794 28.738 -0.022 0.000 1.212 984 Q HN 0.585 nan 8.270 nan 0.000 0.436 985 T N 1.602 116.143 114.554 -0.022 0.000 2.905 985 T HA 0.132 4.481 4.350 -0.000 0.000 0.299 985 T C 1.299 175.971 174.700 -0.046 0.000 1.024 985 T CA 1.045 63.131 62.100 -0.022 0.000 1.151 985 T CB 0.416 69.277 68.868 -0.011 0.000 0.987 985 T HN 0.990 nan 8.240 nan 0.000 0.535 986 G N 1.798 110.575 108.800 -0.039 0.000 2.217 986 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.246 986 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.246 986 G C -0.037 174.819 174.900 -0.072 0.000 0.990 986 G CA -0.032 45.029 45.100 -0.065 0.000 0.627 986 G HN 0.754 nan 8.290 nan 0.000 0.522 987 L N 2.162 123.355 121.223 -0.050 0.000 2.261 987 L HA 0.731 5.071 4.340 -0.000 0.000 0.289 987 L C 0.106 176.989 176.870 0.022 0.000 1.059 987 L CA -0.755 54.069 54.840 -0.027 0.000 0.816 987 L CB 0.752 42.798 42.059 -0.021 0.000 1.191 987 L HN 0.155 nan 8.230 nan 0.000 0.431 988 L N 6.404 127.653 121.223 0.043 0.000 2.265 988 L HA 0.549 4.888 4.340 -0.000 0.000 0.289 988 L C -0.717 176.242 176.870 0.148 0.000 1.033 988 L CA -0.718 54.184 54.840 0.103 0.000 0.814 988 L CB 1.470 43.587 42.059 0.096 0.000 1.203 988 L HN 0.288 nan 8.230 nan 0.000 0.423 989 V N 4.894 124.939 119.914 0.219 0.000 2.376 989 V HA 0.419 4.539 4.120 -0.000 0.000 0.287 989 V C -0.123 176.104 176.094 0.221 0.000 1.015 989 V CA -0.301 62.121 62.300 0.203 0.000 0.834 989 V CB 1.786 33.734 31.823 0.210 0.000 1.001 989 V HN 0.780 nan 8.190 nan 0.000 0.428 990 M N 5.242 124.874 119.600 0.054 0.000 2.383 990 M HA 0.665 5.145 4.480 -0.000 0.000 0.325 990 M C -0.144 176.026 176.300 -0.216 0.000 1.092 990 M CA -0.175 54.941 55.300 -0.305 0.000 0.961 990 M CB 2.079 34.465 32.600 -0.357 0.000 1.672 990 M HN 0.768 nan 8.290 nan 0.000 0.438 991 T N 2.808 117.206 114.554 -0.261 0.000 2.888 991 T HA 0.731 5.081 4.350 -0.000 0.000 0.284 991 T C -0.493 174.094 174.700 -0.188 0.000 1.017 991 T CA -0.761 61.253 62.100 -0.143 0.000 1.022 991 T CB 1.229 70.098 68.868 0.001 0.000 1.013 991 T HN 0.640 nan 8.240 nan 0.000 0.465 992 I N 2.107 122.570 120.570 -0.178 0.000 2.468 992 I HA 0.323 4.492 4.170 -0.000 0.000 0.284 992 I C -0.712 175.321 176.117 -0.139 0.000 1.038 992 I CA -0.888 60.304 61.300 -0.180 0.000 1.083 992 I CB 1.777 39.613 38.000 -0.273 0.000 1.223 992 I HN 0.650 nan 8.210 nan 0.000 0.443 993 D N 3.958 124.304 120.400 -0.091 0.000 2.302 993 D HA 0.169 4.809 4.640 -0.000 0.000 0.248 993 D C -0.169 176.090 176.300 -0.068 0.000 1.094 993 D CA 0.443 54.404 54.000 -0.066 0.000 0.897 993 D CB 1.549 42.327 40.800 -0.037 0.000 1.200 993 D HN 0.587 nan 8.370 nan 0.000 0.429 994 D N 1.066 121.430 120.400 -0.060 0.000 2.602 994 D HA 0.242 4.881 4.640 -0.000 0.000 0.265 994 D C 0.338 176.615 176.300 -0.038 0.000 1.454 994 D CA -0.285 53.682 54.000 -0.054 0.000 0.795 994 D CB 0.236 40.995 40.800 -0.068 0.000 1.140 994 D HN 0.388 nan 8.370 nan 0.000 0.486 995 G N 0.074 108.856 108.800 -0.031 0.000 2.588 995 G HA2 0.259 4.218 3.960 -0.000 0.000 0.281 995 G HA3 0.259 4.218 3.960 -0.000 0.000 0.281 995 G C 1.246 176.135 174.900 -0.018 0.000 1.236 995 G CA -0.457 44.630 45.100 -0.022 0.000 0.969 995 G HN 0.117 nan 8.290 nan 0.000 0.504 996 M N -0.800 118.792 119.600 -0.014 0.000 2.108 996 M HA -0.197 4.283 4.480 -0.000 0.000 0.257 996 M C 2.531 178.824 176.300 -0.011 0.000 1.071 996 M CA 1.694 56.988 55.300 -0.012 0.000 1.093 996 M CB -0.315 32.279 32.600 -0.009 0.000 1.345 996 M HN 0.559 nan 8.290 nan 0.000 0.403 997 Q N -0.520 119.273 119.800 -0.011 0.000 2.488 997 Q HA 0.000 4.340 4.340 -0.000 0.000 0.211 997 Q C 1.929 177.921 176.000 -0.012 0.000 0.967 997 Q CA 0.904 56.700 55.803 -0.011 0.000 0.926 997 Q CB -0.020 28.712 28.738 -0.010 0.000 0.992 997 Q HN 0.584 nan 8.270 nan 0.000 0.506 998 A N -0.110 122.701 122.820 -0.014 0.000 2.095 998 A HA 0.400 4.719 4.320 -0.000 0.000 0.212 998 A C 1.139 178.715 177.584 -0.013 0.000 1.162 998 A CA 1.027 53.055 52.037 -0.015 0.000 0.753 998 A CB 0.210 19.197 19.000 -0.022 0.000 0.840 998 A HN 0.426 nan 8.150 nan 0.000 0.468 999 G N -1.222 107.570 108.800 -0.012 0.000 2.390 999 G HA2 0.382 4.342 3.960 -0.000 0.000 0.202 999 G HA3 0.382 4.342 3.960 -0.000 0.000 0.202 999 G C 0.247 175.140 174.900 -0.011 0.000 1.210 999 G CA -0.199 44.895 45.100 -0.010 0.000 1.271 999 G HN 1.465 nan 8.290 nan 0.000 0.543 1000 A N -0.033 122.781 122.820 -0.011 0.000 2.388 1000 A HA 0.706 5.026 4.320 -0.000 0.000 0.257 1000 A C 0.873 178.448 177.584 -0.016 0.000 1.095 1000 A CA 1.288 53.319 52.037 -0.011 0.000 0.791 1000 A CB 0.777 19.773 19.000 -0.008 0.000 1.029 1000 A HN 2.119 nan 8.150 nan 0.000 0.489 1001 S N 1.760 117.450 115.700 -0.016 0.000 2.465 1001 S HA 0.261 4.730 4.470 -0.000 0.000 0.280 1001 S C 0.856 175.444 174.600 -0.020 0.000 1.232 1001 S CA -0.507 57.681 58.200 -0.021 0.000 1.066 1001 S CB -0.489 62.700 63.200 -0.019 0.000 0.929 1001 S HN 0.544 nan 8.310 nan 0.000 0.494 1002 L N 3.046 124.254 121.223 -0.026 0.000 2.416 1002 L HA 0.328 4.668 4.340 -0.000 0.000 0.216 1002 L C 0.576 177.432 176.870 -0.023 0.000 1.098 1002 L CA 0.225 55.051 54.840 -0.023 0.000 0.840 1002 L CB 0.041 42.084 42.059 -0.028 0.000 0.981 1002 L HN 0.517 nan 8.230 nan 0.000 0.462 1003 D N -0.487 119.894 120.400 -0.031 0.000 2.469 1003 D HA 0.104 4.744 4.640 -0.000 0.000 0.251 1003 D C 0.943 177.229 176.300 -0.024 0.000 1.173 1003 D CA -0.073 53.911 54.000 -0.028 0.000 0.882 1003 D CB 1.658 42.432 40.800 -0.043 0.000 1.129 1003 D HN -0.042 nan 8.370 nan 0.000 0.549 1004 S N 3.290 118.981 115.700 -0.016 0.000 2.507 1004 S HA -0.119 4.351 4.470 -0.000 0.000 0.235 1004 S C 1.393 175.984 174.600 -0.015 0.000 0.988 1004 S CA 0.548 58.739 58.200 -0.014 0.000 0.944 1004 S CB 0.090 63.285 63.200 -0.010 0.000 0.762 1004 S HN 0.431 nan 8.310 nan 0.000 0.526 1005 R N 0.749 121.240 120.500 -0.016 0.000 2.223 1005 R HA 0.348 4.688 4.340 -0.000 0.000 0.198 1005 R C 0.589 176.876 176.300 -0.023 0.000 0.984 1005 R CA 0.610 56.701 56.100 -0.015 0.000 1.018 1005 R CB 0.300 30.595 30.300 -0.010 0.000 0.945 1005 R HN 0.514 nan 8.270 nan 0.000 0.479 1006 V N -3.032 116.863 119.914 -0.032 0.000 3.130 1006 V HA 0.437 4.557 4.120 -0.000 0.000 0.310 1006 V C -0.695 175.370 176.094 -0.049 0.000 1.158 1006 V CA -0.941 61.333 62.300 -0.043 0.000 1.029 1006 V CB 2.696 34.484 31.823 -0.059 0.000 1.057 1006 V HN -0.146 nan 8.190 nan 0.000 0.436 1007 D N 1.253 121.623 120.400 -0.050 0.000 2.379 1007 D HA 0.458 5.098 4.640 -0.000 0.000 0.208 1007 D C 0.619 176.882 176.300 -0.062 0.000 1.065 1007 D CA 1.403 55.375 54.000 -0.046 0.000 0.848 1007 D CB 1.385 42.165 40.800 -0.032 0.000 0.949 1007 D HN 1.187 nan 8.370 nan 0.000 0.509 1008 G N 0.190 108.939 108.800 -0.085 0.000 2.411 1008 G HA2 0.455 4.414 3.960 -0.000 0.000 0.295 1008 G HA3 0.455 4.414 3.960 -0.000 0.000 0.295 1008 G C -1.740 173.070 174.900 -0.151 0.000 1.542 1008 G CA -0.739 44.294 45.100 -0.112 0.000 0.814 1008 G HN -0.005 nan 8.290 nan 0.000 0.557 1009 I N 0.023 120.473 120.570 -0.200 0.000 2.647 1009 I HA 0.572 4.742 4.170 -0.000 0.000 0.295 1009 I C -0.576 175.402 176.117 -0.231 0.000 1.078 1009 I CA -1.258 59.902 61.300 -0.232 0.000 1.048 1009 I CB 2.585 40.370 38.000 -0.358 0.000 1.239 1009 I HN 0.282 nan 8.210 nan 0.000 0.421 1010 V N 6.120 125.896 119.914 -0.229 0.000 2.487 1010 V HA 0.404 4.524 4.120 -0.000 0.000 0.298 1010 V C -0.391 175.630 176.094 -0.122 0.000 1.028 1010 V CA -0.683 61.468 62.300 -0.249 0.000 0.860 1010 V CB 2.112 33.621 31.823 -0.524 0.000 0.991 1010 V HN 0.365 nan 8.190 nan 0.000 0.427 1011 V N 4.307 124.189 119.914 -0.053 0.000 2.357 1011 V HA 0.774 4.894 4.120 -0.000 0.000 0.284 1011 V C 0.300 176.412 176.094 0.029 0.000 1.018 1011 V CA -0.385 61.932 62.300 0.029 0.000 0.841 1011 V CB 1.553 33.434 31.823 0.098 0.000 0.991 1011 V HN 0.971 nan 8.190 nan 0.000 0.437 1012 A N 6.865 129.697 122.820 0.020 0.000 2.291 1012 A HA 0.862 5.182 4.320 -0.000 0.000 0.311 1012 A C -0.734 176.862 177.584 0.020 0.000 1.224 1012 A CA -0.412 51.645 52.037 0.033 0.000 0.821 1012 A CB 0.591 19.605 19.000 0.024 0.000 1.172 1012 A HN 0.778 nan 8.150 nan 0.000 0.494 1013 I N 2.978 123.565 120.570 0.029 0.000 2.390 1013 I HA 0.225 4.395 4.170 -0.000 0.000 0.283 1013 I C 0.234 176.340 176.117 -0.018 0.000 1.016 1013 I CA -0.181 61.126 61.300 0.011 0.000 1.151 1013 I CB 1.526 39.544 38.000 0.031 0.000 1.293 1013 I HN 0.778 nan 8.210 nan 0.000 0.458 1014 N N 5.972 124.637 118.700 -0.058 0.000 2.918 1014 N HA 0.337 5.077 4.740 -0.000 0.000 0.247 1014 N C -0.012 175.333 175.510 -0.275 0.000 1.117 1014 N CA -0.278 52.687 53.050 -0.142 0.000 1.005 1014 N CB 0.751 39.151 38.487 -0.145 0.000 1.297 1014 N HN 0.724 nan 8.380 nan 0.000 0.513 1015 A N 2.594 125.263 122.820 -0.251 0.000 3.056 1015 A HA 0.561 4.881 4.320 -0.000 0.000 0.274 1015 A C -0.066 176.975 177.584 -0.905 0.000 1.661 1015 A CA -0.293 51.512 52.037 -0.386 0.000 1.363 1015 A CB -0.327 18.692 19.000 0.032 0.000 1.139 1015 A HN 0.624 nan 8.150 nan 0.000 0.598 1016 A N 1.984 123.905 122.820 -1.499 0.000 2.608 1016 A HA 0.799 5.119 4.320 -0.000 0.000 0.292 1016 A C -2.723 174.153 177.584 -1.180 0.000 1.066 1016 A CA -1.037 50.341 52.037 -1.098 0.000 0.676 1016 A CB 0.973 19.690 19.000 -0.473 0.000 1.277 1016 A HN 0.162 nan 8.150 nan 0.000 0.413 1017 P HA 0.102 nan 4.420 nan 0.000 0.253 1017 P C -0.012 177.228 177.300 -0.101 0.000 1.260 1017 P CA 0.728 63.770 63.100 -0.097 0.000 0.800 1017 P CB 0.348 32.154 31.700 0.178 0.000 1.162 1018 E N -0.497 119.597 120.200 -0.178 0.000 2.235 1018 E HA 0.411 4.761 4.350 -0.000 0.000 0.265 1018 E C -0.312 176.220 176.600 -0.114 0.000 0.940 1018 E CA -0.869 55.469 56.400 -0.103 0.000 0.819 1018 E CB 1.454 31.105 29.700 -0.080 0.000 1.206 1018 E HN -0.132 nan 8.360 nan 0.000 0.409 1019 S N 1.139 116.802 115.700 -0.062 0.000 2.562 1019 S HA 0.423 4.893 4.470 -0.000 0.000 0.275 1019 S C -0.301 174.270 174.600 -0.047 0.000 1.281 1019 S CA -0.474 57.696 58.200 -0.049 0.000 1.045 1019 S CB 0.634 63.822 63.200 -0.020 0.000 0.962 1019 S HN 0.251 nan 8.310 nan 0.000 0.503 1020 R N 1.223 121.697 120.500 -0.044 0.000 2.599 1020 R HA 0.568 4.907 4.340 -0.000 0.000 0.295 1020 R C -0.799 175.497 176.300 -0.008 0.000 0.963 1020 R CA -0.344 55.738 56.100 -0.031 0.000 0.883 1020 R CB 1.733 32.008 30.300 -0.041 0.000 1.171 1020 R HN 0.522 nan 8.270 nan 0.000 0.450 1021 T N 3.669 118.224 114.554 0.001 0.000 2.779 1021 T HA 0.496 4.845 4.350 -0.000 0.000 0.280 1021 T C -0.378 174.338 174.700 0.028 0.000 0.987 1021 T CA -0.600 61.509 62.100 0.016 0.000 0.966 1021 T CB 0.627 69.501 68.868 0.011 0.000 0.933 1021 T HN 0.178 nan 8.240 nan 0.000 0.442 1022 L N 3.516 124.773 121.223 0.057 0.000 2.282 1022 L HA 0.409 4.749 4.340 -0.000 0.000 0.288 1022 L C 1.052 177.964 176.870 0.071 0.000 1.033 1022 L CA -0.585 54.305 54.840 0.083 0.000 0.807 1022 L CB 1.366 43.539 42.059 0.190 0.000 1.209 1022 L HN 0.533 nan 8.230 nan 0.000 0.423 1023 Q N 0.998 120.801 119.800 0.004 0.000 2.217 1023 Q HA 0.035 4.375 4.340 -0.000 0.000 0.217 1023 Q C 0.659 176.598 176.000 -0.102 0.000 0.844 1023 Q CA 0.153 55.946 55.803 -0.018 0.000 0.957 1023 Q CB 0.626 29.348 28.738 -0.026 0.000 1.127 1023 Q HN 0.709 nan 8.270 nan 0.000 0.503 1024 D N 0.513 120.764 120.400 -0.249 0.000 2.133 1024 D HA -0.163 4.476 4.640 -0.000 0.000 0.195 1024 D C 0.100 176.006 176.300 -0.657 0.000 0.997 1024 D CA 1.230 54.878 54.000 -0.587 0.000 0.840 1024 D CB -0.067 40.097 40.800 -1.061 0.000 0.947 1024 D HN 0.230 nan 8.370 nan 0.000 0.452 1025 F N 0.388 120.334 119.950 -0.006 0.000 2.987 1025 F HA 0.507 5.034 4.527 -0.000 0.000 0.302 1025 F C 0.498 176.293 175.800 -0.008 0.000 1.221 1025 F CA -0.989 57.005 58.000 -0.009 0.000 1.307 1025 F CB -0.423 38.569 39.000 -0.012 0.000 1.108 1025 F HN -0.183 nan 8.300 nan 0.000 0.521 1026 A N 0.313 123.175 122.820 0.070 0.000 2.440 1026 A HA 0.487 4.807 4.320 -0.000 0.000 0.251 1026 A C 1.505 179.119 177.584 0.051 0.000 1.089 1026 A CA 0.407 52.476 52.037 0.053 0.000 0.779 1026 A CB -0.283 18.726 19.000 0.014 0.000 1.022 1026 A HN 1.165 nan 8.150 nan 0.000 0.492 1027 G N 1.657 110.485 108.800 0.046 0.000 2.166 1027 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.260 1027 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.260 1027 G C 0.856 175.782 174.900 0.043 0.000 0.986 1027 G CA 1.658 46.780 45.100 0.035 0.000 0.683 1027 G HN 2.018 nan 8.290 nan 0.000 0.527 1028 T N -1.788 112.807 114.554 0.069 0.000 3.081 1028 T HA 0.362 4.711 4.350 -0.000 0.000 0.250 1028 T C 1.554 176.277 174.700 0.038 0.000 1.100 1028 T CA 1.160 63.302 62.100 0.070 0.000 1.038 1028 T CB -0.255 68.695 68.868 0.138 0.000 0.962 1028 T HN 2.275 nan 8.240 nan 0.000 0.516 1029 S N -0.084 115.634 115.700 0.031 0.000 3.697 1029 S HA -0.138 4.331 4.470 -0.000 0.000 0.388 1029 S C -0.198 174.398 174.600 -0.007 0.000 0.941 1029 S CA -0.100 58.107 58.200 0.011 0.000 1.247 1029 S CB -2.869 60.335 63.200 0.006 0.000 0.904 1029 S HN 0.524 nan 8.310 nan 0.000 0.518 1030 L N 1.452 122.668 121.223 -0.012 0.000 2.397 1030 L HA 0.538 4.878 4.340 -0.000 0.000 0.271 1030 L C 0.631 177.473 176.870 -0.046 0.000 1.148 1030 L CA 0.883 55.688 54.840 -0.058 0.000 0.825 1030 L CB 1.120 43.117 42.059 -0.103 0.000 1.117 1030 L HN 0.675 nan 8.230 nan 0.000 0.456 1031 Q N 2.456 122.224 119.800 -0.055 0.000 2.372 1031 Q HA 0.424 4.764 4.340 -0.000 0.000 0.273 1031 Q C -1.307 174.670 176.000 -0.039 0.000 1.078 1031 Q CA -1.203 54.579 55.803 -0.036 0.000 0.806 1031 Q CB 2.748 31.471 28.738 -0.025 0.000 1.332 1031 Q HN 0.433 nan 8.270 nan 0.000 0.435 1032 L N 1.394 122.603 121.223 -0.024 0.000 2.426 1032 L HA 0.160 4.499 4.340 -0.000 0.000 0.271 1032 L C 0.054 176.919 176.870 -0.008 0.000 1.169 1032 L CA 0.638 55.467 54.840 -0.018 0.000 0.836 1032 L CB 1.295 43.349 42.059 -0.007 0.000 1.112 1032 L HN 0.655 nan 8.230 nan 0.000 0.465 1033 S N 3.567 119.266 115.700 -0.001 0.000 2.558 1033 S HA 0.182 4.651 4.470 -0.000 0.000 0.293 1033 S C 1.480 176.087 174.600 0.012 0.000 1.292 1033 S CA 0.070 58.277 58.200 0.012 0.000 1.063 1033 S CB 0.609 63.827 63.200 0.030 0.000 0.831 1033 S HN 0.951 nan 8.310 nan 0.000 0.499 1034 A N 5.705 128.532 122.820 0.012 0.000 1.978 1034 A HA -0.068 4.251 4.320 -0.000 0.000 0.220 1034 A C 1.979 179.571 177.584 0.014 0.000 1.170 1034 A CA 1.585 53.629 52.037 0.011 0.000 0.636 1034 A CB -0.698 18.308 19.000 0.009 0.000 0.810 1034 A HN 0.928 nan 8.150 nan 0.000 0.448 1035 I N -0.757 119.822 120.570 0.016 0.000 2.226 1035 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 1035 I C 2.770 178.899 176.117 0.019 0.000 1.100 1035 I CA 1.566 62.874 61.300 0.015 0.000 1.374 1035 I CB -0.365 37.641 38.000 0.010 0.000 1.057 1035 I HN 0.456 nan 8.210 nan 0.000 0.413 1036 Q N 0.053 119.865 119.800 0.020 0.000 2.172 1036 Q HA -0.189 4.151 4.340 -0.000 0.000 0.200 1036 Q C 2.225 178.242 176.000 0.029 0.000 0.964 1036 Q CA 1.004 56.823 55.803 0.027 0.000 0.855 1036 Q CB -0.040 28.710 28.738 0.020 0.000 0.918 1036 Q HN 0.584 nan 8.270 nan 0.000 0.444 1037 Q N 0.349 120.162 119.800 0.021 0.000 2.084 1037 Q HA -0.145 4.195 4.340 -0.000 0.000 0.202 1037 Q C 2.121 178.134 176.000 0.021 0.000 0.978 1037 Q CA 1.351 57.165 55.803 0.019 0.000 0.844 1037 Q CB -0.231 28.515 28.738 0.013 0.000 0.898 1037 Q HN 0.348 nan 8.270 nan 0.000 0.426 1038 A N 1.039 123.871 122.820 0.019 0.000 2.019 1038 A HA -0.084 4.235 4.320 -0.000 0.000 0.219 1038 A C 2.182 179.780 177.584 0.023 0.000 1.164 1038 A CA 1.466 53.514 52.037 0.018 0.000 0.644 1038 A CB -0.521 18.488 19.000 0.014 0.000 0.805 1038 A HN 0.388 nan 8.150 nan 0.000 0.449 1039 A N -1.314 121.526 122.820 0.033 0.000 2.167 1039 A HA 0.408 4.728 4.320 -0.000 0.000 0.214 1039 A C 1.923 179.534 177.584 0.045 0.000 1.151 1039 A CA 1.398 53.461 52.037 0.043 0.000 0.735 1039 A CB -1.182 17.859 19.000 0.068 0.000 0.802 1039 A HN 1.876 nan 8.150 nan 0.000 0.467 1040 G N 1.034 109.858 108.800 0.039 0.000 2.634 1040 G HA2 -0.449 3.511 3.960 -0.000 0.000 0.309 1040 G HA3 -0.449 3.511 3.960 -0.000 0.000 0.309 1040 G C 0.427 175.359 174.900 0.053 0.000 1.265 1040 G CA 0.882 46.005 45.100 0.038 0.000 0.998 1040 G HN 0.924 nan 8.290 nan 0.000 0.551 1041 D N 0.458 120.887 120.400 0.049 0.000 2.352 1041 D HA 0.099 4.739 4.640 -0.000 0.000 0.232 1041 D C 1.896 178.247 176.300 0.085 0.000 1.055 1041 D CA 0.671 54.709 54.000 0.063 0.000 0.891 1041 D CB -0.130 40.698 40.800 0.048 0.000 0.897 1041 D HN 0.595 nan 8.370 nan 0.000 0.529 1042 R N -0.362 120.187 120.500 0.082 0.000 2.362 1042 R HA 0.195 4.535 4.340 -0.000 0.000 0.227 1042 R C 0.544 176.975 176.300 0.219 0.000 0.905 1042 R CA -0.189 55.959 56.100 0.081 0.000 1.067 1042 R CB 0.488 30.793 30.300 0.007 0.000 1.078 1042 R HN 0.005 nan 8.270 nan 0.000 0.516 1043 S N 0.220 116.048 115.700 0.214 0.000 2.617 1043 S HA 0.186 4.656 4.470 -0.000 0.000 0.269 1043 S C 1.216 175.968 174.600 0.254 0.000 1.292 1043 S CA -0.562 57.777 58.200 0.232 0.000 1.010 1043 S CB 0.834 64.103 63.200 0.114 0.000 0.944 1043 S HN 0.202 nan 8.310 nan 0.000 0.536 1044 L N 2.677 123.950 121.223 0.083 0.000 2.376 1044 L HA 0.057 4.397 4.340 -0.000 0.000 0.219 1044 L C 2.141 178.970 176.870 -0.068 0.000 1.133 1044 L CA 0.942 55.656 54.840 -0.211 0.000 0.816 1044 L CB -0.414 41.436 42.059 -0.348 0.000 0.933 1044 L HN 0.821 nan 8.230 nan 0.000 0.449 1045 A N -1.341 121.481 122.820 0.002 0.000 2.345 1045 A HA 0.058 4.378 4.320 -0.000 0.000 0.225 1045 A C 1.121 178.725 177.584 0.033 0.000 1.243 1045 A CA -0.073 51.970 52.037 0.009 0.000 0.875 1045 A CB -0.073 18.932 19.000 0.009 0.000 0.929 1045 A HN 0.199 nan 8.150 nan 0.000 0.502 1046 S N -0.124 115.612 115.700 0.061 0.000 2.575 1046 S HA 0.365 4.835 4.470 -0.000 0.000 0.295 1046 S C 1.481 176.113 174.600 0.053 0.000 1.267 1046 S CA 1.191 59.433 58.200 0.069 0.000 1.074 1046 S CB -0.063 63.199 63.200 0.103 0.000 0.829 1046 S HN 1.813 nan 8.310 nan 0.000 0.497 1047 G N 3.123 111.949 108.800 0.042 0.000 2.217 1047 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.246 1047 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.246 1047 G C 0.220 175.135 174.900 0.024 0.000 0.990 1047 G CA -0.046 45.075 45.100 0.034 0.000 0.627 1047 G HN 1.011 nan 8.290 nan 0.000 0.522 1048 V N 2.588 122.514 119.914 0.020 0.000 2.763 1048 V HA 0.420 4.540 4.120 -0.000 0.000 0.306 1048 V C 0.666 176.768 176.094 0.013 0.000 1.059 1048 V CA 1.183 63.490 62.300 0.013 0.000 1.138 1048 V CB 1.265 33.093 31.823 0.007 0.000 0.940 1048 V HN 0.699 nan 8.190 nan 0.000 0.489 1049 Q N 3.249 123.056 119.800 0.012 0.000 2.305 1049 Q HA 0.689 5.029 4.340 -0.000 0.000 0.271 1049 Q C -1.743 174.264 176.000 0.013 0.000 1.046 1049 Q CA -0.883 54.928 55.803 0.013 0.000 0.798 1049 Q CB 2.225 30.971 28.738 0.014 0.000 1.286 1049 Q HN 0.359 nan 8.270 nan 0.000 0.435 1050 V N 1.903 121.824 119.914 0.011 0.000 2.293 1050 V HA 0.547 4.667 4.120 -0.000 0.000 0.275 1050 V C 0.354 176.457 176.094 0.015 0.000 1.021 1050 V CA -0.477 61.831 62.300 0.013 0.000 0.815 1050 V CB 0.606 32.431 31.823 0.005 0.000 1.025 1050 V HN 0.938 nan 8.190 nan 0.000 0.448 1051 A N 4.164 126.996 122.820 0.020 0.000 2.387 1051 A HA 0.625 4.945 4.320 -0.000 0.000 0.251 1051 A C 1.714 179.308 177.584 0.017 0.000 1.113 1051 A CA 0.573 52.620 52.037 0.018 0.000 0.794 1051 A CB 0.212 19.224 19.000 0.019 0.000 1.069 1051 A HN 1.163 nan 8.150 nan 0.000 0.506 1052 A N -0.227 122.602 122.820 0.015 0.000 1.930 1052 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 1052 A C 1.629 179.223 177.584 0.016 0.000 1.175 1052 A CA 1.852 53.897 52.037 0.013 0.000 0.627 1052 A CB -0.689 18.317 19.000 0.011 0.000 0.815 1052 A HN 0.894 nan 8.150 nan 0.000 0.443 1053 D N -1.768 118.643 120.400 0.018 0.000 2.178 1053 D HA 0.107 4.747 4.640 -0.000 0.000 0.202 1053 D C 1.345 177.662 176.300 0.029 0.000 0.974 1053 D CA 1.589 55.601 54.000 0.020 0.000 0.841 1053 D CB -0.469 40.341 40.800 0.017 0.000 0.953 1053 D HN 0.845 nan 8.370 nan 0.000 0.478 1054 G N 0.209 109.030 108.800 0.036 0.000 2.318 1054 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.172 1054 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.172 1054 G C 0.306 175.251 174.900 0.076 0.000 1.002 1054 G CA 0.258 45.390 45.100 0.054 0.000 0.697 1054 G HN 0.711 nan 8.290 nan 0.000 0.483 1055 S N -0.179 115.556 115.700 0.060 0.000 2.585 1055 S HA 0.659 5.129 4.470 -0.000 0.000 0.273 1055 S C 0.062 174.700 174.600 0.065 0.000 1.339 1055 S CA -0.043 58.198 58.200 0.068 0.000 1.028 1055 S CB 2.325 65.550 63.200 0.041 0.000 0.906 1055 S HN 1.058 nan 8.310 nan 0.000 0.528 1056 V N 2.359 122.320 119.914 0.080 0.000 2.540 1056 V HA 0.507 4.626 4.120 -0.000 0.000 0.302 1056 V C -0.054 176.066 176.094 0.044 0.000 1.035 1056 V CA -0.642 61.692 62.300 0.056 0.000 0.873 1056 V CB 1.899 33.758 31.823 0.060 0.000 0.992 1056 V HN 1.068 nan 8.190 nan 0.000 0.428 1057 T N 6.124 120.693 114.554 0.026 0.000 2.797 1057 T HA 0.725 5.075 4.350 -0.000 0.000 0.279 1057 T C -0.731 173.974 174.700 0.008 0.000 0.991 1057 T CA -0.371 61.739 62.100 0.016 0.000 0.979 1057 T CB 1.177 70.052 68.868 0.012 0.000 0.943 1057 T HN 0.249 nan 8.240 nan 0.000 0.444 1058 L N 5.450 126.672 121.223 -0.001 0.000 2.313 1058 L HA 0.522 4.862 4.340 -0.000 0.000 0.283 1058 L C -2.349 174.507 176.870 -0.024 0.000 1.013 1058 L CA -2.252 52.581 54.840 -0.012 0.000 0.816 1058 L CB 0.943 42.990 42.059 -0.020 0.000 1.236 1058 L HN 0.347 nan 8.230 nan 0.000 0.419 1059 P HA 0.229 nan 4.420 nan 0.000 0.273 1059 P C -0.695 176.579 177.300 -0.043 0.000 1.250 1059 P CA -0.503 62.592 63.100 -0.009 0.000 0.793 1059 P CB 0.547 32.261 31.700 0.022 0.000 1.011 1060 A N 0.558 123.351 122.820 -0.045 0.000 2.483 1060 A HA 0.127 4.447 4.320 -0.000 0.000 0.238 1060 A C -0.467 177.086 177.584 -0.052 0.000 1.070 1060 A CA -0.146 51.798 52.037 -0.154 0.000 0.770 1060 A CB -1.209 17.753 19.000 -0.064 0.000 1.008 1060 A HN 0.684 nan 8.150 nan 0.000 0.497 1061 W N 0.634 121.932 121.300 -0.004 0.000 6.840 1061 W HA -0.179 4.480 4.660 -0.000 0.000 0.413 1061 W C 0.764 177.249 176.519 -0.056 0.000 1.605 1061 W CA 0.816 58.148 57.345 -0.021 0.000 1.122 1061 W CB -1.903 27.553 29.460 -0.006 0.000 2.811 1061 W HN 1.032 nan 8.180 nan 0.000 1.578 1062 S N -1.672 114.045 115.700 0.028 0.000 2.634 1062 S HA 0.920 5.390 4.470 -0.000 0.000 0.296 1062 S C -0.712 173.866 174.600 -0.036 0.000 1.104 1062 S CA -1.130 57.061 58.200 -0.015 0.000 0.920 1062 S CB 2.991 66.183 63.200 -0.013 0.000 1.111 1062 S HN 0.158 nan 8.310 nan 0.000 0.493 1063 V N 0.744 120.622 119.914 -0.060 0.000 2.623 1063 V HA 0.839 4.959 4.120 -0.000 0.000 0.304 1063 V C -0.301 175.771 176.094 -0.037 0.000 1.054 1063 V CA -0.401 61.870 62.300 -0.048 0.000 0.882 1063 V CB 1.277 33.057 31.823 -0.072 0.000 1.002 1063 V HN 1.325 nan 8.190 nan 0.000 0.424 1064 A N 4.155 126.963 122.820 -0.020 0.000 2.393 1064 A HA 0.889 5.208 4.320 -0.000 0.000 0.306 1064 A C -1.156 176.425 177.584 -0.007 0.000 1.050 1064 A CA -0.595 51.434 52.037 -0.015 0.000 0.724 1064 A CB 2.005 20.995 19.000 -0.017 0.000 1.248 1064 A HN 0.673 nan 8.150 nan 0.000 0.424 1065 V N 4.505 124.422 119.914 0.005 0.000 2.334 1065 V HA 0.373 4.493 4.120 -0.000 0.000 0.281 1065 V C -0.606 175.486 176.094 -0.003 0.000 1.016 1065 V CA -0.459 61.863 62.300 0.036 0.000 0.832 1065 V CB 0.950 32.835 31.823 0.104 0.000 0.999 1065 V HN 0.732 nan 8.190 nan 0.000 0.439 1066 L N 4.903 126.090 121.223 -0.060 0.000 2.334 1066 L HA 0.760 5.100 4.340 -0.000 0.000 0.270 1066 L C 0.125 176.926 176.870 -0.115 0.000 1.018 1066 L CA -0.442 54.337 54.840 -0.101 0.000 0.811 1066 L CB 1.812 43.765 42.059 -0.176 0.000 1.271 1066 L HN 0.851 nan 8.230 nan 0.000 0.443 1067 E N 0.805 120.944 120.200 -0.102 0.000 2.408 1067 E HA 0.591 4.941 4.350 -0.000 0.000 0.275 1067 E C -1.537 175.010 176.600 -0.087 0.000 0.935 1067 E CA -0.886 55.456 56.400 -0.097 0.000 0.775 1067 E CB 2.198 31.862 29.700 -0.059 0.000 1.277 1067 E HN 0.387 nan 8.360 nan 0.000 0.455 1068 L N 2.357 123.532 121.223 -0.081 0.000 2.283 1068 L HA 0.394 4.734 4.340 -0.000 0.000 0.281 1068 L C -2.143 174.702 176.870 -0.042 0.000 1.033 1068 L CA -2.244 52.562 54.840 -0.057 0.000 0.848 1068 L CB 1.160 43.188 42.059 -0.051 0.000 1.226 1068 L HN 0.361 nan 8.230 nan 0.000 0.429 1069 P HA -0.084 nan 4.420 nan 0.000 0.264 1069 P C -0.803 176.484 177.300 -0.021 0.000 1.193 1069 P CA -0.020 63.066 63.100 -0.024 0.000 0.763 1069 P CB 0.797 32.486 31.700 -0.017 0.000 0.810 1070 Q N 2.380 122.167 119.800 -0.021 0.000 2.304 1070 Q HA 0.364 4.704 4.340 -0.000 0.000 0.260 1070 Q C 0.772 176.764 176.000 -0.013 0.000 0.965 1070 Q CA -0.302 55.490 55.803 -0.018 0.000 0.898 1070 Q CB 0.597 29.323 28.738 -0.020 0.000 1.196 1070 Q HN 0.602 nan 8.270 nan 0.000 0.402 1071 G N 2.019 110.812 108.800 -0.011 0.000 2.624 1071 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.217 1071 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.217 1071 G C 0.357 175.252 174.900 -0.008 0.000 1.506 1071 G CA -0.010 45.084 45.100 -0.009 0.000 1.072 1071 G HN 0.784 nan 8.290 nan 0.000 0.568 1072 E N -1.116 119.080 120.200 -0.007 0.000 2.204 1072 E HA 0.008 4.358 4.350 -0.000 0.000 0.195 1072 E C 1.109 177.705 176.600 -0.007 0.000 0.990 1072 E CA 1.028 57.424 56.400 -0.006 0.000 0.821 1072 E CB -0.013 29.684 29.700 -0.005 0.000 0.750 1072 E HN 0.279 nan 8.360 nan 0.000 0.477 1073 S N -1.588 114.108 115.700 -0.007 0.000 2.685 1073 S HA 0.275 4.745 4.470 -0.000 0.000 0.282 1073 S C -1.343 173.251 174.600 -0.010 0.000 1.159 1073 S CA -0.838 57.357 58.200 -0.008 0.000 0.833 1073 S CB 1.071 64.267 63.200 -0.007 0.000 1.151 1073 S HN 0.148 nan 8.310 nan 0.000 0.485 1074 Q N 0.831 120.625 119.800 -0.011 0.000 2.286 1074 Q HA 0.372 4.712 4.340 -0.000 0.000 0.290 1074 Q C 0.447 176.440 176.000 -0.011 0.000 1.049 1074 Q CA 0.446 56.242 55.803 -0.013 0.000 0.923 1074 Q CB 0.130 28.860 28.738 -0.013 0.000 1.183 1074 Q HN 0.746 nan 8.270 nan 0.000 0.383 1075 G N 1.549 110.341 108.800 -0.013 0.000 2.568 1075 G HA2 0.430 4.390 3.960 -0.000 0.000 0.293 1075 G HA3 0.430 4.390 3.960 -0.000 0.000 0.293 1075 G C 0.377 175.271 174.900 -0.009 0.000 1.347 1075 G CA -0.016 45.078 45.100 -0.010 0.000 1.039 1075 G HN 0.802 nan 8.290 nan 0.000 0.523 1076 A N -1.548 121.269 122.820 -0.005 0.000 1.969 1076 A HA 0.399 4.718 4.320 -0.000 0.000 0.218 1076 A C 2.006 179.588 177.584 -0.003 0.000 1.169 1076 A CA 2.016 54.052 52.037 -0.003 0.000 0.635 1076 A CB -1.196 17.805 19.000 0.003 0.000 0.810 1076 A HN 2.519 nan 8.150 nan 0.000 0.445 1077 G N -1.218 107.579 108.800 -0.005 0.000 2.564 1077 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.273 1077 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.273 1077 G C -0.093 174.812 174.900 0.008 0.000 1.242 1077 G CA 0.174 45.268 45.100 -0.010 0.000 0.951 1077 G HN 0.901 nan 8.290 nan 0.000 0.564 1078 L N 2.128 123.354 121.223 0.004 0.000 2.488 1078 L HA 0.340 4.680 4.340 -0.000 0.000 0.250 1078 L C -1.999 174.878 176.870 0.011 0.000 1.280 1078 L CA -1.583 53.276 54.840 0.031 0.000 0.929 1078 L CB 1.747 43.833 42.059 0.045 0.000 1.200 1078 L HN 0.418 nan 8.230 nan 0.000 0.495 1079 P HA -0.015 nan 4.420 nan 0.000 0.265 1079 P C 0.103 177.401 177.300 -0.004 0.000 1.193 1079 P CA 0.047 63.144 63.100 -0.004 0.000 0.765 1079 P CB 1.326 33.023 31.700 -0.005 0.000 0.823 1080 V N 3.790 123.698 119.914 -0.010 0.000 2.540 1080 V HA -0.025 4.095 4.120 -0.000 0.000 0.297 1080 V C 1.337 177.420 176.094 -0.019 0.000 1.024 1080 V CA 0.297 62.589 62.300 -0.014 0.000 1.105 1080 V CB -0.106 31.703 31.823 -0.024 0.000 0.938 1080 V HN 0.727 nan 8.190 nan 0.000 0.482 1081 S N 3.897 119.588 115.700 -0.015 0.000 2.531 1081 S HA 0.222 4.692 4.470 -0.000 0.000 0.279 1081 S C 0.240 174.822 174.600 -0.030 0.000 1.305 1081 S CA -0.424 57.765 58.200 -0.019 0.000 1.058 1081 S CB 1.111 64.303 63.200 -0.013 0.000 0.899 1081 S HN 0.784 nan 8.310 nan 0.000 0.493 1082 S N 2.436 118.119 115.700 -0.029 0.000 2.549 1082 S HA 0.288 4.758 4.470 -0.000 0.000 0.283 1082 S C -0.173 174.407 174.600 -0.034 0.000 1.320 1082 S CA -0.298 57.881 58.200 -0.034 0.000 1.058 1082 S CB -0.120 63.063 63.200 -0.027 0.000 0.882 1082 S HN 0.788 nan 8.310 nan 0.000 0.498 1083 K N 0.000 120.374 120.400 -0.043 0.000 2.780 1083 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1083 K CA 0.000 56.264 56.287 -0.038 0.000 0.838 1083 K CB 0.000 32.471 32.500 -0.048 0.000 1.064 1083 K HN 0.000 nan 8.250 nan 0.000 0.543